(3S)-3-amino-3-phenylpropanoic acid

HCID 686704CAS 40856-44-8

기본 정보

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

개요

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

이름 및 식별자

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

이름 및 동의어

(3S)-3-amino-3-phenylpropanoic acidRefChem:401348(-)-3-Amino-3-phenylpropanoic acid609-874-3(s)-3-amino-3-phenylpropionic acid40856-44-8(s)-3-amino-3-phenylpropanoic acid(s)-beta-phenylalanineMFCD01076238(S)-ss-phenylalanineD-beta-PhenylalanineCambridge id 5100473

이름 더 보기

(betaS)-beta-Aminobenzenepropanoic acidOprea1_051046SCHEMBL123765CHEBI:68525Benzenepropanoic acid, beta-amino-, (betaS)-C20488(S)-3-amino-3-phenylpropanoateL-beta-Phe-OH

데이터베이스 식별자

CAS: 40856-44-8
PubChem CID: 686704
ChEBI: CHEBI:68525
UNII: GZ5N3GS3WH
EC Number: 609-874-3
Nikkaji: J7.087D

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

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.