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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H11NO2.ClH
Molecular Weight 201.65
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Amino-3-phenylpropanoic acid hydrochloride, (S)-

SMILES

Cl.N[C@@H](CC(O)=O)C1=CC=CC=C1

InChI

InChIKey=ABEBCTCOPRULFS-QRPNPIFTSA-N
InChI=1S/C9H11NO2.ClH/c10-8(6-9(11)12)7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m0./s1

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 C9H11NO2
Molecular Weight 165.1891
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:27:54 GMT 2025
Edited
by admin
on Wed Apr 02 17:27:54 GMT 2025
Record UNII
LB5TT6UVN5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(+)-(3S)-3-Amino-3-phenylpropionic acid hydrochloride
Preferred Name English
3-Amino-3-phenylpropanoic acid hydrochloride, (S)-
Systematic Name English
(S)-3-Amino-3-phenylpropionic acid hydrochloride
Systematic Name English
(S)-3-Amino-3-phenylpropanoic acid hydrochloride
Systematic Name English
Benzenepropanoic acid, ?-amino-, hydrochloride (1:1), (?S)-
Systematic Name English
(S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride
Systematic Name English
Benzenepropanoic acid, ?-amino-, hydrochloride, (S)-
Systematic Name English
(-)-3-Amino-3-phenylpropanoic acid hydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
24820433
Created by admin on Wed Apr 02 17:27:54 GMT 2025 , Edited by admin on Wed Apr 02 17:27:54 GMT 2025
PRIMARY
FDA UNII
LB5TT6UVN5
Created by admin on Wed Apr 02 17:27:54 GMT 2025 , Edited by admin on Wed Apr 02 17:27:54 GMT 2025
PRIMARY
CAS
83649-47-2
Created by admin on Wed Apr 02 17:27:54 GMT 2025 , Edited by admin on Wed Apr 02 17:27:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID60647511
Created by admin on Wed Apr 02 17:27:54 GMT 2025 , Edited by admin on Wed Apr 02 17:27:54 GMT 2025
PRIMARY
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