U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H17N3
Molecular Weight 227.3049
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-((2-AMINOPHENYL)METHYL)-4-METHYLBENZENE-1,3-DIAMINE

SMILES

CC1=C(CC2=CC=CC=C2N)C=C(N)C=C1N

InChI

InChIKey=VYKBWUGQNGMJKN-UHFFFAOYSA-N
InChI=1S/C14H17N3/c1-9-11(7-12(15)8-14(9)17)6-10-4-2-3-5-13(10)16/h2-5,7-8H,6,15-17H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H17N3
Molecular Weight 227.3049
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:11:51 GMT 2023
Edited
by admin
on Sat Dec 16 12:11:51 GMT 2023
Record UNII
24L8BHT6TJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-((2-AMINOPHENYL)METHYL)-4-METHYLBENZENE-1,3-DIAMINE
Systematic Name English
5-((2-AMINOPHENYL)METHYL)-4-METHYL-1,3-BENZENEDIAMINE
Systematic Name English
1,3-BENZENEDIAMINE, 5-((2-AMINOPHENYL)METHYL)-4-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90234796
Created by admin on Sat Dec 16 12:11:51 GMT 2023 , Edited by admin on Sat Dec 16 12:11:51 GMT 2023
PRIMARY
PUBCHEM
3020826
Created by admin on Sat Dec 16 12:11:51 GMT 2023 , Edited by admin on Sat Dec 16 12:11:51 GMT 2023
PRIMARY
CAS
85586-62-5
Created by admin on Sat Dec 16 12:11:51 GMT 2023 , Edited by admin on Sat Dec 16 12:11:51 GMT 2023
PRIMARY
FDA UNII
24L8BHT6TJ
Created by admin on Sat Dec 16 12:11:51 GMT 2023 , Edited by admin on Sat Dec 16 12:11:51 GMT 2023
PRIMARY
ECHA (EC/EINECS)
287-867-0
Created by admin on Sat Dec 16 12:11:51 GMT 2023 , Edited by admin on Sat Dec 16 12:11:51 GMT 2023
PRIMARY