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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H10Cl3N.ClH
Molecular Weight 323.045
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Chloro-4-(2,4-dichlorobenzyl)aniline hydrochloride

SMILES

Cl.NC1=CC=C(CC2=CC=C(Cl)C=C2Cl)C(Cl)=C1

InChI

InChIKey=AJWGXSLEDMFOKX-UHFFFAOYSA-N
InChI=1S/C13H10Cl3N.ClH/c14-10-3-1-8(12(15)6-10)5-9-2-4-11(17)7-13(9)16;/h1-4,6-7H,5,17H2;1H

HIDE SMILES / InChI

Molecular Formula C13H10Cl3N
Molecular Weight 286.584
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Wed Apr 02 20:18:12 GMT 2025
Edited
by admin
on Wed Apr 02 20:18:12 GMT 2025
Record UNII
ETD4T8GZY2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Chloro-4-(2,4-dichlorobenzyl)aniline hydrochloride
Systematic Name English
Benzenamine, 3-chloro-4-[(2,4-dichlorophenyl)methyl]-, hydrochloride
Preferred Name English
Code System Code Type Description
FDA UNII
ETD4T8GZY2
Created by admin on Wed Apr 02 20:18:12 GMT 2025 , Edited by admin on Wed Apr 02 20:18:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID50964608
Created by admin on Wed Apr 02 20:18:12 GMT 2025 , Edited by admin on Wed Apr 02 20:18:12 GMT 2025
PRIMARY
PUBCHEM
122236883
Created by admin on Wed Apr 02 20:18:12 GMT 2025 , Edited by admin on Wed Apr 02 20:18:12 GMT 2025
PRIMARY
CAS
50329-01-6
Created by admin on Wed Apr 02 20:18:12 GMT 2025 , Edited by admin on Wed Apr 02 20:18:12 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE