IngredientID 6177

4-methyl-1,2-benzenediamine

C7H10N2

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 3Ingredient: 1Target: 12Links: 15

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 6177
Core Entity Id: 10048
Source Entity Count: 1
Preferred Name: 4-methyl-1,2-benzenediamine
Name En
Pubchem Id: 10332
Smiles Canonical: CC1=CC(=C(C=C1)N)N
Molecular Formula: C7H10N2
Molecular Weight: 122.1710
Inchikey: DGRGLKZMKWPMOH-UHFFFAOYSA-N
Inchi: InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
Isomeric Smiles: CC1=CC(=C(C=C1)N)N
Cas Id: 496-72-0
Ob Score
Mol Logp: 1.1594
Num H Donors: 2
Num H Acceptors: 2
Num Rotatable Bonds: 0
Drug Likeness: 0.5070
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

4-Methyl-1,2-Benzenediamine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

4-Methyl-1,2-Benzenediamine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

4-methyl-1,2-benzenediamine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

4-methyl-1,2-benzenediamine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

4-methyl-1,2-benzenediamine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

(2-amino-5-methyl-phenyl)-amine

Role

alias

Source

TCMBank

Preferred

Name

(2-amino-5-methyl-phenyl)-amine

Role

alias

Source

SymMap_v2

Preferred

Name

1,2-Benzenediamine, 4-methyl-

Role

alias

Source

itcmdb_public

Preferred

Name

1,2-Benzenediamine, 4-methyl-

Role

alias

Source

SymMap_v2

Preferred

Name

1,2-Benzenediamine, 4-methyl-

Role

alias

Source

HERB_v2

Preferred

Name

1,2-Benzenediamine, 4-methyl-

Role

alias

Source

TCMBank

Preferred

Name

1,2-Diamino-4-methylbenzene

Role

alias

Source

SymMap_v2

Preferred

Name

1,2-Diamino-4-methylbenzene

Role

alias

Source

TCMBank

Preferred

Name

2-amino-4-methylphenylamine

Role

alias

Source

SymMap_v2

Preferred

Name

2-amino-4-methylphenylamine

Role

alias

Source

TCMBank

Preferred

Name

3,4-DIAMINOTOLUENE

Role

alias

Source

SymMap_v2

Preferred

Name

3,4-DIAMINOTOLUENE

Role

alias

Source

TCMBank

Preferred

Name

3,4-DIAMINOTOLUENE

Role

alias

Source

itcmdb_public

Preferred

Name

3,4-DIAMINOTOLUENE

Role

alias

Source

HERB_v2

Preferred

Name

3,4-Diamino-1-methylbenzene

Role

alias

Source

SymMap_v2

Preferred

Name

3,4-Diamino-1-methylbenzene

Role

alias

Source

TCMBank

Preferred

Name

3,4-Diaminotoluene, 97%

Role

alias

Source

SymMap_v2

Preferred

Name

3,4-Diaminotoluene, 97%

Role

alias

Source

TCMBank

Preferred

Name

3,4-Diaminotoluene, 99%, purified by sublimation

Role

alias

Source

SymMap_v2

Preferred

Name

3,4-Diaminotoluene, 99%, purified by sublimation

Role

alias

Source

TCMBank

Preferred

Name

3,4-Toluendiamine

Role

alias

Source

SymMap_v2

Preferred

Name

3,4-Toluendiamine

Role

alias

Source

TCMBank

Preferred

Name

3,4-Toluenediamine

Role

alias

Source

HERB_v2

Preferred

Name

3,4-Toluenediamine

Role

alias

Source

SymMap_v2

Preferred

Name

3,4-Toluenediamine

Role

alias

Source

TCMBank

Preferred

Name

3,4-Toluenediamine

Role

alias

Source

itcmdb_public

Preferred

Name

3,4-Toluylenediamine

Role

alias

Source

SymMap_v2

Preferred

Name

3,4-Toluylenediamine

Role

alias

Source

TCMBank

Preferred

Name

3,4-Tolylenediamine

Role

alias

Source

SymMap_v2

Preferred

Name

3,4-Tolylenediamine

Role

alias

Source

itcmdb_public

Preferred

Name

3,4-Tolylenediamine

Role

alias

Source

TCMBank

Preferred

Name

3,4-Tolylenediamine

Role

alias

Source

HERB_v2

Preferred

Name

4-13-00-00260 (Beilstein Handbook Reference)

Role

alias

Source

SymMap_v2

Preferred

Name

4-13-00-00260 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

4-Methyl-1,2-benzenediamine

Role

alias

Source

TCMBank

Preferred

Name

4-Methyl-1,2-benzenediamine

Role

alias

Source

SymMap_v2

Preferred

Name

4-Methyl-1,2-diaminobenzene

Role

alias

Source

SymMap_v2

Preferred

Name

4-Methyl-1,2-diaminobenzene

Role

alias

Source

TCMBank

Preferred

Name

4-Methyl-1,2-phenylenediamine

Role

alias

Source

itcmdb_public

Preferred

Name

4-Methyl-1,2-phenylenediamine

Role

alias

Source

SymMap_v2

Preferred

Name

4-Methyl-1,2-phenylenediamine

Role

alias

Source

TCMBank

Preferred

Name

4-Methyl-1,2-phenylenediamine

Role

alias

Source

HERB_v2

Preferred

Name

4-Methyl-o-phenylenediamine

Role

alias

Source

itcmdb_public

Preferred

Name

4-Methyl-o-phenylenediamine

Role

alias

Source

SymMap_v2

Preferred

Name

4-Methyl-o-phenylenediamine

Role

alias

Source

HERB_v2

Preferred

Name

4-Methyl-o-phenylenediamine

Role

alias

Source

TCMBank

Preferred

Name

4-Methyl-o-phenylenediamine, Vetec(TM) reagent grade, 97%

Role

alias

Source

SymMap_v2

Preferred

Name

4-Methyl-o-phenylenediamine, Vetec(TM) reagent grade, 97%

Role

alias

Source

TCMBank

Preferred

Name

4-Methyl-o-phenylenediamine, purum, >=98.0% (NT)

Role

alias

Source

TCMBank

Preferred

Name

4-Methyl-o-phenylenediamine, purum, >=98.0% (NT)

Role

alias

Source

SymMap_v2

Preferred

Name

4-methyl-benzene-1, 2-diamine

Role

alias

Source

TCMBank

Preferred

Name

4-methylbenzene-1,2-diamine

Role

alias

Source

HERB_v2

Preferred

Name

4-methylbenzene-1,2-diamine

Role

alias

Source

SymMap_v2

Preferred

Name

4-methylbenzene-1,2-diamine

Role

alias

Source

itcmdb_public

Preferred

Name

496-72-0

Role

alias

Source

HERB_v2

Preferred

Name

496-72-0

Role

alias

Source

SymMap_v2

Preferred

Name

496-72-0

Role

alias

Source

TCMBank

Preferred

Name

496-72-0

Role

alias

Source

itcmdb_public

Preferred

Name

636-24-8

Role

alias

Source

SymMap_v2

Preferred

Name

636-24-8

Role

alias

Source

TCMBank

Preferred

Name

9AY

Role

alias

Source

SymMap_v2

Preferred

Name

9AY

Role

alias

Source

TCMBank

Preferred

Name

A827789

Role

alias

Source

SymMap_v2

Preferred

Name

A827789

Role

alias

Source

TCMBank

Preferred

Name

AB1002707

Role

alias

Source

SymMap_v2

Preferred

Name

AB1002707

Role

alias

Source

TCMBank

Preferred

Name

AC-10826

Role

alias

Source

SymMap_v2

Preferred

Name

AC-10826

Role

alias

Source

TCMBank

Preferred

Name

AC-907/25014184

Role

alias

Source

SymMap_v2

Preferred

Name

AC-907/25014184

Role

alias

Source

TCMBank

Preferred

Name

AC1L1UZ8

Role

alias

Source

SymMap_v2

Preferred

Name

AC1L1UZ8

Role

alias

Source

TCMBank

Preferred

Name

AC1Q2IRO

Role

alias

Source

SymMap_v2

Preferred

Name

AC1Q2IRO

Role

alias

Source

TCMBank

Preferred

Name

AC1Q2IRP

Role

alias

Source

SymMap_v2

Preferred

Name

AC1Q2IRP

Role

alias

Source

TCMBank

Preferred

Name

AC1Q53D7

Role

alias

Source

SymMap_v2

Preferred

Name

AC1Q53D7

Role

alias

Source

TCMBank

Preferred

Name

ACMC-1AIEU

Role

alias

Source

SymMap_v2

Preferred

Name

ACMC-1AIEU

Role

alias

Source

TCMBank

Preferred

Name

ACT07297

Role

alias

Source

SymMap_v2

Preferred

Name

ACT07297

Role

alias

Source

TCMBank

Preferred

Name

AJ-19450

Role

alias

Source

SymMap_v2

Preferred

Name

AJ-19450

Role

alias

Source

TCMBank

Preferred

Name

AK-45900

Role

alias

Source

SymMap_v2

Preferred

Name

AK-45900

Role

alias

Source

TCMBank

Preferred

Name

AKOS001476169

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS001476169

Role

alias

Source

TCMBank

Preferred

Name

AN-45317

Role

alias

Source

SymMap_v2

Preferred

Name

AN-45317

Role

alias

Source

TCMBank

Preferred

Name

ANW-30820

Role

alias

Source

SymMap_v2

Preferred

Name

ANW-30820

Role

alias

Source

TCMBank

Preferred

Name

BBL013178

Role

alias

Source

SymMap_v2

Preferred

Name

BBL013178

Role

alias

Source

TCMBank

Preferred

Name

BB_SC-6834

Role

alias

Source

SymMap_v2

Preferred

Name

BB_SC-6834

Role

alias

Source

TCMBank

Preferred

Name

BG00600052

Role

alias

Source

SymMap_v2

Preferred

Name

BG00600052

Role

alias

Source

TCMBank

Preferred

Name

BR-45900

Role

alias

Source

SymMap_v2

Preferred

Name

BR-45900

Role

alias

Source

TCMBank

Preferred

Name

BRN 0507965

Role

alias

Source

SymMap_v2

Preferred

Name

BRN 0507965

Role

alias

Source

TCMBank

Preferred

Name

CAS-496-72-0

Role

alias

Source

SymMap_v2

Preferred

Name

CAS-496-72-0

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 4611

Role

alias

Source

SymMap_v2

Preferred

Name

CCRIS 4611

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL1319452

Role

alias

Source

SymMap_v2

Preferred

Name

CHEMBL1319452

Role

alias

Source

TCMBank

Preferred

Name

CJ-02801

Role

alias

Source

SymMap_v2

Preferred

Name

CJ-02801

Role

alias

Source

TCMBank

Preferred

Name

CS-W013550

Role

alias

Source

SymMap_v2

Preferred

Name

CS-W013550

Role

alias

Source

TCMBank

Preferred

Name

CTK1D5742

Role

alias

Source

SymMap_v2

Preferred

Name

CTK1D5742

Role

alias

Source

TCMBank

Preferred

Name

D0125

Role

alias

Source

SymMap_v2

Preferred

Name

D0125

Role

alias

Source

TCMBank

Preferred

Name

DB-051663

Role

alias

Source

SymMap_v2

Preferred

Name

DB-051663

Role

alias

Source

TCMBank

Preferred

Name

DGRGLKZMKWPMOH-UHFFFAOYSA-N

Role

alias

Source

SymMap_v2

Preferred

Name

DGRGLKZMKWPMOH-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_CID_4930

Role

alias

Source

SymMap_v2

Preferred

Name

DSSTox_CID_4930

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_GSID_24930

Role

alias

Source

SymMap_v2

Preferred

Name

DSSTox_GSID_24930

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_RID_77586

Role

alias

Source

SymMap_v2

Preferred

Name

DSSTox_RID_77586

Role

alias

Source

TCMBank

Preferred

Name

DTXSID9024930

Role

alias

Source

SymMap_v2

Preferred

Name

DTXSID9024930

Role

alias

Source

TCMBank

Preferred

Name

EINECS 207-826-2

Role

alias

Source

SymMap_v2

Preferred

Name

EINECS 207-826-2

Role

alias

Source

TCMBank

Preferred

Name

EN300-41268

Role

alias

Source

SymMap_v2

Preferred

Name

EN300-41268

Role

alias

Source

TCMBank

Preferred

Name

F0001-1293

Role

alias

Source

SymMap_v2

Preferred

Name

F0001-1293

Role

alias

Source

TCMBank

Preferred

Name

FT-0614205

Role

alias

Source

SymMap_v2

Preferred

Name

FT-0614205

Role

alias

Source

TCMBank

Preferred

Name

HMS3039M17

Role

alias

Source

SymMap_v2

Preferred

Name

HMS3039M17

Role

alias

Source

TCMBank

Preferred

Name

HSDB 6070

Role

alias

Source

SymMap_v2

Preferred

Name

HSDB 6070

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H

Role

alias

Source

SymMap_v2

Preferred

Name

InChI=1/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H

Role

alias

Source

TCMBank

Preferred

Name

KB-28133

Role

alias

Source

SymMap_v2

Preferred

Name

KB-28133

Role

alias

Source

TCMBank

Preferred

Name

KS-00000ND0

Role

alias

Source

SymMap_v2

Preferred

Name

KS-00000ND0

Role

alias

Source

TCMBank

Preferred

Name

KSC235O4F

Role

alias

Source

SymMap_v2

Preferred

Name

KSC235O4F

Role

alias

Source

TCMBank

Preferred

Name

LS-1300

Role

alias

Source

SymMap_v2

Preferred

Name

LS-1300

Role

alias

Source

TCMBank

Preferred

Name

M-7239

Role

alias

Source

SymMap_v2

Preferred

Name

M-7239

Role

alias

Source

TCMBank

Preferred

Name

MCULE-4665726211

Role

alias

Source

SymMap_v2

Preferred

Name

MCULE-4665726211

Role

alias

Source

TCMBank

Preferred

Name

MFCD00007728

Role

alias

Source

SymMap_v2

Preferred

Name

MFCD00007728

Role

alias

Source

TCMBank

Preferred

Name

MLS002454370

Role

alias

Source

SymMap_v2

Preferred

Name

MLS002454370

Role

alias

Source

TCMBank

Preferred

Name

MolPort-000-147-624

Role

alias

Source

SymMap_v2

Preferred

Name

MolPort-000-147-624

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091277-01

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00091277-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091277-02

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00091277-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091277-03

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00091277-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091277-04

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00091277-04

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091277-05

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00091277-05

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091277-06

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00091277-06

Role

alias

Source

TCMBank

Preferred

Name

NCGC00254324-01

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00254324-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00259298-01

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00259298-01

Role

alias

Source

TCMBank

Preferred

Name

NSC 1495

Role

alias

Source

SymMap_v2

Preferred

Name

NSC 1495

Role

alias

Source

TCMBank

Preferred

Name

OE7HJ54P5C

Role

alias

Source

SymMap_v2

Preferred

Name

OE7HJ54P5C

Role

alias

Source

TCMBank

Preferred

Name

PubChem19699

Role

alias

Source

SymMap_v2

Preferred

Name

PubChem19699

Role

alias

Source

TCMBank

Preferred

Name

RP19479

Role

alias

Source

SymMap_v2

Preferred

Name

RP19479

Role

alias

Source

TCMBank

Preferred

Name

RTR-017839

Role

alias

Source

SymMap_v2

Preferred

Name

RTR-017839

Role

alias

Source

TCMBank

Preferred

Name

SBB007557

Role

alias

Source

SymMap_v2

Preferred

Name

SBB007557

Role

alias

Source

TCMBank

Preferred

Name

SC-27301

Role

alias

Source

SymMap_v2

Preferred

Name

SC-27301

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL102738

Role

alias

Source

SymMap_v2

Preferred

Name

SCHEMBL102738

Role

alias

Source

TCMBank

Preferred

Name

SMR001371992

Role

alias

Source

SymMap_v2

Preferred

Name

SMR001371992

Role

alias

Source

TCMBank

Preferred

Name

ST2410243

Role

alias

Source

SymMap_v2

Preferred

Name

ST2410243

Role

alias

Source

TCMBank

Preferred

Name

ST51038573

Role

alias

Source

SymMap_v2

Preferred

Name

ST51038573

Role

alias

Source

TCMBank

Preferred

Name

STK895715

Role

alias

Source

SymMap_v2

Preferred

Name

STK895715

Role

alias

Source

TCMBank

Preferred

Name

STR02446

Role

alias

Source

SymMap_v2

Preferred

Name

STR02446

Role

alias

Source

TCMBank

Preferred

Name

TL80073504

Role

alias

Source

SymMap_v2

Preferred

Name

TL80073504

Role

alias

Source

TCMBank

Preferred

Name

TR-017839

Role

alias

Source

SymMap_v2

Preferred

Name

TR-017839

Role

alias

Source

TCMBank

Preferred

Name

TRA0070519

Role

alias

Source

SymMap_v2

Preferred

Name

TRA0070519

Role

alias

Source

TCMBank

Preferred

Name

Tolue- ne-3,4-Diamine

Role

alias

Source

TCMBank

Preferred

Name

Toluene-3,4-diamine

Role

alias

Source

HERB_v2

Preferred

Name

Toluene-3,4-diamine

Role

alias

Source

SymMap_v2

Preferred

Name

Toluene-3,4-diamine

Role

alias

Source

itcmdb_public

Preferred

Name

Tolylene-3,4-diamine

Role

alias

Source

SymMap_v2

Preferred

Name

Tolylene-3,4-diamine

Role

alias

Source

TCMBank

Preferred

Name

Tox21_201749

Role

alias

Source

SymMap_v2

Preferred

Name

Tox21_201749

Role

alias

Source

TCMBank

Preferred

Name

Tox21_300507

Role

alias

Source

SymMap_v2

Preferred

Name

Tox21_300507

Role

alias

Source

TCMBank

Preferred

Name

UNII-NJX12DY6BY component DGRGLKZMKWPMOH-UHFFFAOYSA-N

Role

alias

Source

SymMap_v2

Preferred

Name

UNII-NJX12DY6BY component DGRGLKZMKWPMOH-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

UNII-OE7HJ54P5C

Role

alias

Source

SymMap_v2

Preferred

Name

UNII-OE7HJ54P5C

Role

alias

Source

TCMBank

Preferred

Name

W-106015

Role

alias

Source

SymMap_v2

Preferred

Name

W-106015

Role

alias

Source

TCMBank

Preferred

Name

WLN: ZR BZ D1

Role

alias

Source

SymMap_v2

Preferred

Name

WLN: ZR BZ D1

Role

alias

Source

TCMBank

Preferred

Name

Z1245635723

Role

alias

Source

SymMap_v2

Preferred

Name

Z1245635723

Role

alias

Source

TCMBank

Preferred

Name

ZB010580

Role

alias

Source

SymMap_v2

Preferred

Name

ZB010580

Role

alias

Source

TCMBank

Preferred

Name

ZINC331686

Role

alias

Source

SymMap_v2

Preferred

Name

ZINC331686

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

(2-amino-5-methyl-phenyl)-amine1,2-Benzenediamine, 4-methyl-1,2-Diamino-4-methylbenzene2-amino-4-methylphenylamine3,4-DIAMINOTOLUENE3,4-Diamino-1-methylbenzene3,4-Diaminotoluene, 97%3,4-Diaminotoluene, 99%, purified by sublimation3,4-Toluendiamine3,4-Toluenediamine3,4-Toluylenediamine3,4-Tolylenediamine4-13-00-00260 (Beilstein Handbook Reference)4-Methyl-1,2-diaminobenzene4-Methyl-1,2-phenylenediamine4-Methyl-o-phenylenediamine4-Methyl-o-phenylenediamine, Vetec(TM) reagent grade, 97%4-Methyl-o-phenylenediamine, purum, >=98.0% (NT)4-methyl-benzene-1, 2-diamine4-methylbenzene-1,2-diamine496-72-0636-24-89AYA827789AB1002707AC-10826AC-907/25014184AC1L1UZ8AC1Q2IROAC1Q2IRPAC1Q53D7ACMC-1AIEUACT07297AJ-19450AK-45900AKOS001476169AN-45317ANW-30820BBL013178BB_SC-6834BG00600052BR-45900BRN 0507965CAS-496-72-0CCRIS 4611CHEMBL1319452CJ-02801CS-W013550CTK1D5742D0125DB-051663DGRGLKZMKWPMOH-UHFFFAOYSA-NDSSTox_CID_4930DSSTox_GSID_24930DSSTox_RID_77586DTXSID9024930EINECS 207-826-2EN300-41268F0001-1293FT-0614205HMS3039M17HSDB 6070InChI=1/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1HKB-28133KS-00000ND0KSC235O4FLS-1300M-7239MCULE-4665726211MFCD00007728MLS002454370MolPort-000-147-624NCGC00091277-01NCGC00091277-02NCGC00091277-03NCGC00091277-04NCGC00091277-05NCGC00091277-06NCGC00254324-01NCGC00259298-01NSC 1495OE7HJ54P5CPubChem19699RP19479RTR-017839SBB007557SC-27301SCHEMBL102738SMR001371992ST2410243ST51038573STK895715STR02446TL80073504TR-017839TRA0070519Tolue- ne-3,4-DiamineToluene-3,4-diamineTolylene-3,4-diamineTox21_201749Tox21_300507UNII-NJX12DY6BY component DGRGLKZMKWPMOH-UHFFFAOYSA-NUNII-OE7HJ54P5CW-106015WLN: ZR BZ D1Z1245635723ZB010580ZINC331686

Cross References

Trusted external identifiers retained for this final record.

Cas

496-72-0

Herb

HBIN010654

Npass

NPC173991

Tcmid

24086

Sym Map

SMIT02003

Tcm Id

7796

Pub Chem

10332

Tcmbank

TCMBANKIN001122

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3

Mol Wt

122.171

Cas Id

496-72-0

Smiles

CC1=CC(=C(C=C1)N)N

Mol Log P

1.15942

Version

v1,v2

In Ch Ikey

DGRGLKZMKWPMOH-UHFFFAOYSA-N

Suppress

Num Hdonors

Drug Likeness

0.507

Num Hacceptors

Isomeric Smiles

CC1=CC(=C(C=C1)N)N

Molecule Weight

122.17

Canonical Smiles

CC1=CC(=C(C=C1)N)N

Herb Alias Names

3,4-DIAMINOTOLUENE496-72-04-methylbenzene-1,2-diamine3,4-Toluenediamine4-Methyl-o-phenylenediamine1,2-Benzenediamine, 4-methyl-Toluene-3,4-diamine4-Methyl-1,2-phenylenediamine3,4-Tolylenediamine

Molecular Weight

122.17

Molecule Formula

C7H10N2

Molecular Formula

C7H10N2

Molecular Formula

C7H10N2

Num Rotatable Bonds