2-AMINO-2-PHENYLBUTYRATE SODIUM

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Details

Stereochemistry	RACEMIC
Molecular Formula	C10H12NO2.Na
Molecular Weight	201.1975
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-AMINO-2-PHENYLBUTYRATE SODIUM

Structure Search

SMILES

[Na+].CCC(N)(C([O-])=O)C1=CC=CC=C1

InChI

InChIKey=DWMNPNADAQLXPU-UHFFFAOYSA-M

InChI=1S/C10H13NO2.Na/c1-2-10(11,9(12)13)8-6-4-3-5-7-8;/h3-7H,2,11H2,1H3,(H,12,13);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C10H12NO2
Molecular Weight	178.2078
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:35:10 GMT 2025` Edited by `admin` on `Mon Mar 31 23:35:10 GMT 2025`
Record UNII	7TZM50051W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-AMINO-2-PHENYLBUTANOIC ACID SODIUM SALT

Preferred Name

English

2-AMINO-2-PHENYLBUTYRATE SODIUM

Systematic Name

English

BENZENEACETIC ACID, .ALPHA.-AMINO-.ALPHA.-ETHYL-, SODIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50916384

Created by admin on Mon Mar 31 23:35:10 GMT 2025 , Edited by admin on Mon Mar 31 23:35:10 GMT 2025

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FDA UNII

7TZM50051W

Created by admin on Mon Mar 31 23:35:10 GMT 2025 , Edited by admin on Mon Mar 31 23:35:10 GMT 2025

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CAS

94133-84-3

Created by admin on Mon Mar 31 23:35:10 GMT 2025 , Edited by admin on Mon Mar 31 23:35:10 GMT 2025

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ECHA (EC/EINECS)

302-748-6

Created by admin on Mon Mar 31 23:35:10 GMT 2025 , Edited by admin on Mon Mar 31 23:35:10 GMT 2025

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PUBCHEM

44152354

Created by admin on Mon Mar 31 23:35:10 GMT 2025 , Edited by admin on Mon Mar 31 23:35:10 GMT 2025

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Related Record Type Details


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2-AMINO-2-PHENYLBUTYRIC ACID

PARENT -> SALT/SOLVATE