(3R)-3-amino-3-phenylpropanoic acid

HCID 686703CAS 13921-90-9

基本情報

標準SMILES: N[C@H](CC(=O)O)c1ccccc1
InChIKey: UJOYFRCOTPUKAK-MRVPVSSYSA-N
分子式: C9H11NO2
平均分子量: 165.19 g/mol
単同位体質量: 165.07897859

概要

(R)-3-amino-3-phenylpropanoic acid is an optically active form of 3-amino-3-phenylpropanoic acid having R-configuration. It is an enantiomer of a (S)-3-amino-3-phenylpropanoic acid. It is a tautomer of a (R)-3-ammonio-3-phenylpropanoate.

名称と識別子

優先名称: (3R)-3-amino-3-phenylpropanoic acid
IUPAC: (3R)-3-amino-3-phenylpropanoic acid

名称と別名

(3R)-3-amino-3-phenylpropanoic acid(+)-3-Amino-3-phenylpropanoic acidRefChem:400889604-118-913921-90-9(R)-3-amino-3-phenylpropionic acid(R)-3-AMINO-3-PHENYLPROPANOIC ACID(R)-3-Phenyl-beta-alanine(R)-beta-phenylalanineD-beta-PhenylalanineMFCD01076237(3R)-3-amino-3-phenyl-propanoic acid

名称をさらに表示

(R)-3-Amino-3-phenyl-propionic acidDK7F6342USCHEBI:671723-Amino-3-phenylpropanoic acid, (R)-(R)-3-AMINO-3-PHENYLPROPANOICACID(3r)-beta-phenylalanine(R)-3-amino-3-phenyl-propanoic acid(betaR)-beta-Aminobenzenepropanoic Acid

データベース識別子

CAS: 13921-90-9
PubChem CID: 686703
DTXSID: DTXSID301356956
ChEBI: CHEBI:67172
UNII: DK7F6342US
EC Number: 604-118-9
Nikkaji: J35.824J

物性

構造計算による物性

XLogP: -1.4
極性表面積: 63.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 153

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H228 (33.3%): Flammable solid [Danger Flammable solids]

P210, P235, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.