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Details

Stereochemistry MIXED
Molecular Formula C10H13NO2.ClH
Molecular Weight 215.677
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-3-phenylbutanoic acid hydrochloride

SMILES

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

InChI

InChIKey=SGKWQBMDOXGYAA-UHFFFAOYSA-N
InChI=1S/C10H13NO2.ClH/c1-7(9(11)10(12)13)8-5-3-2-4-6-8;/h2-7,9H,11H2,1H3,(H,12,13);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 C10H13NO2
Molecular Weight 179.2157
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:25:59 GMT 2025
Edited
by admin
on Wed Apr 02 10:25:59 GMT 2025
Record UNII
4X39ARZ9DZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenylalanine, ?-methyl-, hydrochloride
Preferred Name English
2-Amino-3-phenylbutanoic acid hydrochloride
Systematic Name English
?-Methyl-3-phenyl-DL-alanine hydrochloride
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID901001690
Created by admin on Wed Apr 02 10:25:59 GMT 2025 , Edited by admin on Wed Apr 02 10:25:59 GMT 2025
PRIMARY
FDA UNII
4X39ARZ9DZ
Created by admin on Wed Apr 02 10:25:59 GMT 2025 , Edited by admin on Wed Apr 02 10:25:59 GMT 2025
PRIMARY
PUBCHEM
12743546
Created by admin on Wed Apr 02 10:25:59 GMT 2025 , Edited by admin on Wed Apr 02 10:25:59 GMT 2025
PRIMARY
CAS
80997-87-1
Created by admin on Wed Apr 02 10:25:59 GMT 2025 , Edited by admin on Wed Apr 02 10:25:59 GMT 2025
PRIMARY