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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H12Cl2N2O
Molecular Weight 283.153
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-5-((4-AMINO-3-CHLOROPHENYL)METHYL)-3-CHLOROPHENOL

SMILES

NC1=CC=C(CC2=CC(O)=C(N)C(Cl)=C2)C=C1Cl

InChI

InChIKey=NAFQRMMXAUBUQJ-UHFFFAOYSA-N
InChI=1S/C13H12Cl2N2O/c14-9-4-7(1-2-11(9)16)3-8-5-10(15)13(17)12(18)6-8/h1-2,4-6,18H,3,16-17H2

HIDE SMILES / InChI

Molecular Formula C13H12Cl2N2O
Molecular Weight 283.153
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 Mon Mar 31 21:47:44 GMT 2025
Edited
by admin
on Mon Mar 31 21:47:44 GMT 2025
Record UNII
S2F7A70827
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENOL, 2-AMINO-5-((4-AMINO-3-CHLOROPHENYL)METHYL)-3-CHLORO-
Preferred Name English
2-AMINO-5-((4-AMINO-3-CHLOROPHENYL)METHYL)-3-CHLOROPHENOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40150952
Created by admin on Mon Mar 31 21:47:44 GMT 2025 , Edited by admin on Mon Mar 31 21:47:44 GMT 2025
PRIMARY
FDA UNII
S2F7A70827
Created by admin on Mon Mar 31 21:47:44 GMT 2025 , Edited by admin on Mon Mar 31 21:47:44 GMT 2025
PRIMARY
CAS
115084-48-5
Created by admin on Mon Mar 31 21:47:44 GMT 2025 , Edited by admin on Mon Mar 31 21:47:44 GMT 2025
PRIMARY
PUBCHEM
146459
Created by admin on Mon Mar 31 21:47:44 GMT 2025 , Edited by admin on Mon Mar 31 21:47:44 GMT 2025
PRIMARY