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

HCID 686703CAS 13921-90-9

기본 정보

표준 SMILES: N[C@H](CC(=O)O)c1ccccc1
InChIKey: UJOYFRCOTPUKAK-MRVPVSSYSA-N
분자식: C9H11NO2
평균 분자량: 165.19 g/mol
단동위원소 질량: 165.07897859

개요

(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.

이름 및 식별자

우선 이름: (3R)-3-amino-3-phenylpropanoic acid
IUPAC: (3R)-3-amino-3-phenylpropanoic acid

이름 및 동의어

(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

이름 더 보기

(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -1.4
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 153

안전 및 규제

GHS 분류

GHS Classification · 4건

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.