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Details

Stereochemistry ABSOLUTE
Molecular Formula C4H8ClNO2.ClH
Molecular Weight 174.026
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

Cl.COC(=O)[C@H](N)CCl

InChI

InChIKey=POPBCSXDEXRDSX-AENDTGMFSA-N
InChI=1S/C4H8ClNO2.ClH/c1-8-4(7)3(6)2-5;/h3H,2,6H2,1H3;1H/t3-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C4H8ClNO2
Molecular Weight 137.565
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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 Sat Dec 16 19:55:23 GMT 2023
Edited
by admin
on Sat Dec 16 19:55:23 GMT 2023
Record UNII
7DPG5R3JX4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (S)-2-amino-3-chloropropanoate hydrochloride
Systematic Name English
D-Alanine, 3-chloro-, methyl ester, hydrochloride (1:1)
Systematic Name English
3-Chloro-D-alanine methyl ester hydrochloride
Systematic Name English
(S)-Methyl 2-amino-3-chloropropanoate hydrochloride
Systematic Name English
D-Alanine, 3-chloro-, methyl ester, hydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
13050342
Created by admin on Sat Dec 16 19:55:23 GMT 2023 , Edited by admin on Sat Dec 16 19:55:23 GMT 2023
PRIMARY
CAS
112346-82-4
Created by admin on Sat Dec 16 19:55:23 GMT 2023 , Edited by admin on Sat Dec 16 19:55:23 GMT 2023
PRIMARY
FDA UNII
7DPG5R3JX4
Created by admin on Sat Dec 16 19:55:23 GMT 2023 , Edited by admin on Sat Dec 16 19:55:23 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
PARENT -> SALT/SOLVATE