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Details

Stereochemistry RACEMIC
Molecular Formula C4H8ClNO2.ClH
Molecular Weight 174.026
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-amino-3-chloropropanoate hydrochloride

SMILES

Cl.COC(=O)C(N)CCl

InChI

InChIKey=POPBCSXDEXRDSX-UHFFFAOYSA-N
InChI=1S/C4H8ClNO2.ClH/c1-8-4(7)3(6)2-5;/h3H,2,6H2,1H3;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 C4H8ClNO2
Molecular Weight 137.565
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 21:17:55 GMT 2025
Edited
by admin
on Wed Apr 02 21:17:55 GMT 2025
Record UNII
KLB6SP5HG5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-170313
Preferred Name English
Methyl 2-amino-3-chloropropanoate hydrochloride
Systematic Name English
Alanine, 3-chloro-, methyl ester, hydrochloride (1:1)
Systematic Name English
DL-3-Chloroalanine methyl ester hydrochloride
Systematic Name English
NSC-77696
Code English
3-Chloroalanine methyl ester hydrochloride
Systematic Name English
Alanine, 3-chloro-, methyl ester, hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
KLB6SP5HG5
Created by admin on Wed Apr 02 21:17:55 GMT 2025 , Edited by admin on Wed Apr 02 21:17:55 GMT 2025
PRIMARY
CAS
33646-31-0
Created by admin on Wed Apr 02 21:17:55 GMT 2025 , Edited by admin on Wed Apr 02 21:17:55 GMT 2025
PRIMARY
PUBCHEM
13050341
Created by admin on Wed Apr 02 21:17:55 GMT 2025 , Edited by admin on Wed Apr 02 21:17:55 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE