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Details

Stereochemistry RACEMIC
Molecular Formula C10H11NO3.ClH
Molecular Weight 229.66
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-4-oxo-4-phenylbutanoic acid hydrochloride, (±)-

SMILES

Cl.NC(CC(=O)C1=CC=CC=C1)C(O)=O

InChI

InChIKey=QSZYKVGEOKNNOP-UHFFFAOYSA-N
InChI=1S/C10H11NO3.ClH/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7;/h1-5,8H,6,11H2,(H,13,14);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 C10H11NO3
Molecular Weight 193.1992
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 19:47:24 GMT 2025
Edited
by admin
on Wed Apr 02 19:47:24 GMT 2025
Record UNII
HTZ6UJQ98Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-41591
Preferred Name English
2-Amino-4-oxo-4-phenylbutanoic acid hydrochloride, (±)-
Systematic Name English
2-Amino-4-oxo-4-phenylbutanoic acid hydrochloride
Systematic Name English
Benzenebutanoic acid, ?-amino-?-oxo-, hydrochloride (1:1)
Systematic Name English
Benzenebutanoic acid, ?-amino-?-oxo-, hydrochloride, (±)-
Systematic Name English
Benzenebutanoic acid, ?-amino-?-oxo-, hydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
24213311
Created by admin on Wed Apr 02 19:47:24 GMT 2025 , Edited by admin on Wed Apr 02 19:47:24 GMT 2025
PRIMARY
CAS
54631-37-7
Created by admin on Wed Apr 02 19:47:24 GMT 2025 , Edited by admin on Wed Apr 02 19:47:24 GMT 2025
PRIMARY
FDA UNII
HTZ6UJQ98Z
Created by admin on Wed Apr 02 19:47:24 GMT 2025 , Edited by admin on Wed Apr 02 19:47:24 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE