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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-3-PHENYLBUTYRIC ACID HYDROCHLORIDE

SMILES

Cl.NCC(CC(O)=O)C1=CC=CC=C1

InChI

InChIKey=XSYRYMGYPBGOPS-UHFFFAOYSA-N
InChI=1S/C10H13NO2.ClH/c11-7-9(6-10(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 Sat Dec 16 07:51:13 UTC 2023
Edited
by admin
on Sat Dec 16 07:51:13 UTC 2023
Record UNII
625240H2LN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-AMINO-3-PHENYLBUTYRIC ACID HYDROCHLORIDE
MI  
Systematic Name English
HYDROCINNAMIC ACID, .BETA.-(AMINOMETHYL)-, HYDROCHLORIDE
Common Name English
.BETA.-PHENYL-GABA HYDROCHLORIDE
Common Name English
.GAMMA.-AMINO-.BETA.-PHENYLBUTYRIC ACID HYDROCHLORIDE
Systematic Name English
4-Amino-3-phenylbutyric acid hydrochloride [WHO-DD]
Common Name English
4-AMINO-3-PHENYLBUTANOIC ACID HYDROCHLORIDE, (±)-
Common Name English
4-AMINO-3-PHENYLBUTYRIC ACID HYDROCHLORIDE [MI]
Common Name English
BENZENEPROPANOIC ACID, .BETA.-(AMINOMETHYL)-, HYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
18288
Created by admin on Sat Dec 16 07:51:14 UTC 2023 , Edited by admin on Sat Dec 16 07:51:14 UTC 2023
PRIMARY
MERCK INDEX
m1730
Created by admin on Sat Dec 16 07:51:14 UTC 2023 , Edited by admin on Sat Dec 16 07:51:14 UTC 2023
PRIMARY Merck Index
SMS_ID
300000017632
Created by admin on Sat Dec 16 07:51:14 UTC 2023 , Edited by admin on Sat Dec 16 07:51:14 UTC 2023
PRIMARY
FDA UNII
625240H2LN
Created by admin on Sat Dec 16 07:51:14 UTC 2023 , Edited by admin on Sat Dec 16 07:51:14 UTC 2023
PRIMARY
CAS
3060-41-1
Created by admin on Sat Dec 16 07:51:14 UTC 2023 , Edited by admin on Sat Dec 16 07:51:14 UTC 2023
PRIMARY
Related Record Type Details
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