2-Amino-3-phenylbutanoic acid

HCID 64808

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Basic information

CAS: 2260-12-0
Standard SMILES: CC(c1ccccc1)C(N)C(=O)O
InChIKey: IRZQDMYEJPNDEN-UHFFFAOYSA-N
Molecular formula: C10H13NO2
Average molar mass: 179.22 g/mol

Names & identifiers

Preferred name: 2-Amino-3-phenylbutanoic acid
IUPAC: 2-amino-3-phenylbutanoic acid
English name: 2-Amino-3-phenyl-butyric acid
Molecular formula: C10H13NO2
Molecular weight: 179.22

Names & synonyms

2-Amino-3-phenylbutanoic acid2260-12-0RefChem:85145872-562-2beta-Methylphenylalanine59905-30-5(2R,3R)-2-Amino-3-phenyl-butyric acid(2S,3R)-2-Amino-3-phenyl-butyric acidD-Phenylalanine, -ba--methyl-, (-ba-S)- (9CI)(2R,3S)-2-Amino-3-phenyl-butyric acid(2S,3S)-2-Amino-3-phenyl-butyric acidb-Methyl-DL-phenylalanine

Show more names

2-Amino-3-phenyl-butyric acid2-azanyl-3-phenyl-butanoic acid

Phenylalanine, .beta.-methyl-beta-Phenyl-alpha-aminobutyric acidalpha-Amino-beta-phenyl butyric acidNSC 518100beta-methyl-DL-phenylalanineHydrocinnamic acid, .alpha.-amino-.beta.-methyl-SCHEMBL1800862-amino-3-phenyl butanoic acid

Database identifiers

CAS: 2260-12-0
PubChem CID: 64808
EC Number: 872-562-2
Nikkaji: J80.436C

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 176

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315-H302
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315-H302
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P