Alanine methyl ester hydrochloride

HCID 2733257CAS 2491-20-5

基本情報

標準SMILES: COC(=O)[C@H](C)N.Cl
InChIKey: IYUKFAFDFHZKPI-DFWYDOINSA-N
分子式: C4H10ClNO2
平均分子量: 139.58 g/mol
単同位体質量: 139.04000624

名称と識別子

優先名称: Alanine methyl ester hydrochloride
IUPAC: methyl (2S)-2-aminopropanoate;hydrochloride

名称と別名

2491-20-5ALANINE METHYL ESTER HYDROCHLORIDERefChem:1076285L-Alanine methyl ester hydrochlorideH-Ala-OMe.HCl(S)-Methyl 2-aminopropanoate hydrochlorideMethyl L-alaninate hydrochlorideMFCD00063663methyl (2S)-2-aminopropanoate hydrochlorideL-ALANINE METHYL ESTER HClmethyl (2S)-2-aminopropanoate;hydrochlorideL-Ala-OMe.HCl

名称をさらに表示

L-Alanine, methyl ester, hydrochloride (1:1)(S)-2-Aminopropionic Acid Methyl Ester Hydrochloride(L)-Alanine methyl ester hydrochlorideMethyl L-alaninate HClL-Alanine, methyl ester, hydrochlorideM02946H-Ala-Ome HClL-Alanine methyl ester (hydrochloride)

データベース識別子

CAS: 2491-20-5
PubChem CID: 2733257
DTXSID: DTXSID401366431
ChEMBL: CHEMBL1222063
EC Number: 219-652-4

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: 2
重原子数: 8
形式電荷: 0
複雑度: 72.1

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Warning

H315 (50%): 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.