Methyl 3-phenyl-DL-alaninate hydrochloride

HCID 3084017CAS 5619-07-8

기본 정보

표준 SMILES: COC(=O)C(N)Cc1ccccc1.Cl
InChIKey: SWVMLNPDTIFDDY-UHFFFAOYSA-N
분자식: C10H14ClNO2
평균 분자량: 215.67 g/mol
단동위원소 질량: 215.07130637

이름 및 식별자

우선 이름: Methyl 3-phenyl-DL-alaninate hydrochloride
IUPAC: methyl 2-amino-3-phenylpropanoate;hydrochloride

이름 및 동의어

5619-07-8Methyl 3-phenyl-DL-alaninate HClEINECS 227-049-2Methyl 3-phenyl-DL-alaninate hydrochloridePhenylalanine, methyl ester, hydrochloride (1:1)RefChem:815636227-049-2DL-Phenylalanine methyl ester hydrochloridemethyl 2-amino-3-phenylpropanoate hydrochlorideH-DL-Phe-OMe.HClMFCD00066113DL-phenylalanine methyl ester, HCl

이름 더 보기

methyl 2-amino-3-phenylpropanoate;hydrochlorideMethyl DL-phenylalaninate hydrochlorideF2147-0643H-Phe-OMe . HClH-DL-Phe-OMe . HCl(+/-)-phenylalanine methyl ester hydrochloride3HZ8P6WR8HSCHEMBL136408

데이터베이스 식별자

CAS: 5619-07-8、7524-50-7
PubChem CID: 3084017
DTXSID: DTXSID801371284
UNII: 3HZ8P6WR8H
EC Number: 227-049-2

물성

구조 계산 물성

극성 표면적: 52.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 164

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)

Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.