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

Details

Stereochemistry RACEMIC
Molecular Formula C10H13NO2.ClH
Molecular Weight 215.677
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

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

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 ( + / - )

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 Wed Apr 02 20:30:19 GMT 2025
Edited
by admin
on Wed Apr 02 20:30:19 GMT 2025
Record UNII
6VR8VFP77D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Amino-4-phenylbutanoic acid hydrochloride
Systematic Name English
Benzenebutanoic acid, ?-amino-, hydrochloride
Preferred Name English
Code System Code Type Description
PUBCHEM
14415128
Created by admin on Wed Apr 02 20:30:19 GMT 2025 , Edited by admin on Wed Apr 02 20:30:19 GMT 2025
PRIMARY
FDA UNII
6VR8VFP77D
Created by admin on Wed Apr 02 20:30:19 GMT 2025 , Edited by admin on Wed Apr 02 20:30:19 GMT 2025
PRIMARY
CAS
122602-44-2
Created by admin on Wed Apr 02 20:30:19 GMT 2025 , Edited by admin on Wed Apr 02 20:30:19 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE