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

Details

Stereochemistry RACEMIC
Molecular Formula C9H10ClNO2.ClH
Molecular Weight 236.095
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl ?-amino-2-chlorobenzeneacetate hydrochloride

SMILES

Cl.COC(=O)C(N)C1=CC=CC=C1Cl

InChI

InChIKey=SUUNIMMHDPICBD-UHFFFAOYSA-N
InChI=1S/C9H10ClNO2.ClH/c1-13-9(12)8(11)6-4-2-3-5-7(6)10;/h2-5,8H,11H2,1H3;1H

HIDE SMILES / InChI

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

Molecular Formula C9H10ClNO2
Molecular Weight 199.634
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:11:52 GMT 2025
Edited
by admin
on Wed Apr 02 17:11:52 GMT 2025
Record UNII
8E7AA324BX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(R,S)-Methyl ?-amino-?-(2-chlorophenyl)acetate hydrochloride
Preferred Name English
Methyl ?-amino-2-chlorobenzeneacetate hydrochloride
Systematic Name English
Benzeneacetic acid, ?-amino-2-chloro-, methyl ester, hydrochloride (1:1)
Systematic Name English
Benzeneacetic acid, ?-amino-2-chloro-, methyl ester, hydrochloride
Systematic Name English
Benzeneacetic acid, ?-amino-2-chloro-, methyl ester, hydrochloride, (±)-
Systematic Name English
Methyl 2-amino-2-(2-chlorophenyl)acetate hydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
71779080
Created by admin on Wed Apr 02 17:11:52 GMT 2025 , Edited by admin on Wed Apr 02 17:11:52 GMT 2025
PRIMARY
CAS
141109-17-3
Created by admin on Wed Apr 02 17:11:52 GMT 2025 , Edited by admin on Wed Apr 02 17:11:52 GMT 2025
PRIMARY
FDA UNII
8E7AA324BX
Created by admin on Wed Apr 02 17:11:52 GMT 2025 , Edited by admin on Wed Apr 02 17:11:52 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE