4-AMINO-3-PHENYLBUTYRIC ACID HYDROCHLORIDE, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H13NO2.ClH
Molecular Weight	215.677
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-AMINO-3-PHENYLBUTYRIC ACID HYDROCHLORIDE, (S)-

Structure Search

SMILES

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

InChI

InChIKey=XSYRYMGYPBGOPS-SBSPUUFOSA-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/t9-;/m1./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	C10H13NO2
Molecular Weight	179.2157
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 `Sat Dec 16 10:03:17 UTC 2023` Edited by `admin` on `Sat Dec 16 10:03:17 UTC 2023`
Record UNII	TT432JJ3EE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-AMINO-3-PHENYLBUTYRIC ACID HYDROCHLORIDE, (S)-

Common Name

English

BENZENEPROPANOIC ACID, .BETA.-(AMINOMETHYL)-, HYDROCHLORIDE (1:1), (.BETA.S)-

Systematic Name

English

(S)-4-AMINO-3-PHENYLBUTYRIC ACID HYDROCHLORIDE

Systematic Name

English

(+)-4-AMINO-3-PHENYLBUTYRIC ACID HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

CAS

52950-37-5

Created by admin on Sat Dec 16 10:03:17 UTC 2023 , Edited by admin on Sat Dec 16 10:03:17 UTC 2023

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PUBCHEM

12504100

Created by admin on Sat Dec 16 10:03:17 UTC 2023 , Edited by admin on Sat Dec 16 10:03:17 UTC 2023

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EPA CompTox

DTXSID10500647

Created by admin on Sat Dec 16 10:03:17 UTC 2023 , Edited by admin on Sat Dec 16 10:03:17 UTC 2023

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FDA UNII

TT432JJ3EE

Created by admin on Sat Dec 16 10:03:17 UTC 2023 , Edited by admin on Sat Dec 16 10:03:17 UTC 2023

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