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Details

Stereochemistry RACEMIC
Molecular Formula C10H13NO2
Molecular Weight 179.2157
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Amino-4-phenylbutanoic acid

SMILES

NC(CCC(O)=O)C1=CC=CC=C1

InChI

InChIKey=QCHLDIVWWGHNQB-UHFFFAOYSA-N
InChI=1S/C10H13NO2/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C10H13NO2
Molecular Weight 179.2157
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 Tue Apr 01 19:58:50 GMT 2025
Edited
by admin
on Tue Apr 01 19:58:50 GMT 2025
Record UNII
GBD7C6WGX2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-230421
Preferred Name English
4-Amino-4-phenylbutanoic acid
Systematic Name English
?-Aminobenzenebutanoic acid
Systematic Name English
Butyric acid, 4-amino-4-phenyl-
Common Name English
Benzenebutanoic acid, ?-amino-
Systematic Name English
?-Phenyl-?-aminobutyric acid
Systematic Name English
4-Phenyl-4-aminobutyric acid
Systematic Name English
Code System Code Type Description
CAS
1011-60-5
Created by admin on Tue Apr 01 19:58:50 GMT 2025 , Edited by admin on Tue Apr 01 19:58:50 GMT 2025
PRIMARY
PUBCHEM
13893
Created by admin on Tue Apr 01 19:58:50 GMT 2025 , Edited by admin on Tue Apr 01 19:58:50 GMT 2025
PRIMARY
FDA UNII
GBD7C6WGX2
Created by admin on Tue Apr 01 19:58:50 GMT 2025 , Edited by admin on Tue Apr 01 19:58:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID501307224
Created by admin on Tue Apr 01 19:58:50 GMT 2025 , Edited by admin on Tue Apr 01 19:58:50 GMT 2025
PRIMARY
NSC
230421
Created by admin on Tue Apr 01 19:58:50 GMT 2025 , Edited by admin on Tue Apr 01 19:58:50 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT