Methyl 3-phenyl-DL-alaninate hydrochloride

HCID 3084017CAS 5619-07-8

基本情報

標準SMILES: COC(=O)C(N)Cc1ccccc1.Cl
InChIKey: SWVMLNPDTIFDDY-UHFFFAOYSA-N
分子式: C10H14ClNO2
平均分子量: 215.67 g/mol
単同位体質量: 215.07130637

名称と識別子

優先名称: Methyl 3-phenyl-DL-alaninate hydrochloride
IUPAC: methyl 2-amino-3-phenylpropanoate;hydrochloride

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 52.3 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: 4
重原子数: 14
形式電荷: 0
複雑度: 164

安全と法規制

GHS分類

GHS Classification · 4 件

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.