L-Serine, methyl ester, hydrochloride (1:1)

HCID 2723730

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 5680-80-8
標準SMILES: COC(=O)[C@@H](N)CO.Cl
InChIKey: NDBQJIBNNUJNHA-DFWYDOINSA-N
分子式: C4H10ClNO3
平均分子量: 155.58 g/mol
単同位体質量: 155.03492086

概要

RN given for (HCl, (L)-isomer)

名称と識別子

優先名称: L-Serine, methyl ester, hydrochloride (1:1)
IUPAC: methyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride

名称と別名

5680-80-8DTXSID801323780L-Serine, methyl ester, hydrochloride (1:1)RefChem:924441DTXCID101753190227-140-7L-serine methyl esterSerine methyl esterL-Serine methyl ester hydrochlorideH-Ser-OMe.HClMethyl L-serinate hydrochloride(S)-Methyl 2-amino-3-hydroxypropanoate hydrochloride

名称をさらに表示

methyl (2S)-2-amino-3-hydroxypropanoate hydrochlorideMFCD00063680H-Ser-OMe . HCl(2-methoxy-2-oxoethyl)azanium;chloridemethyl serinate hydrochloridemethyl (2S)-2-amino-3-hydroxypropanoate;hydrochlorideSTR01147L-serine methyl ester, hydrochloride

データベース識別子

CAS: 5680-80-8
PubChem CID: 2723730
DTXSID: DTXSID801323780
ChEMBL: CHEMBL1222334
EC Number: 227-140-7

物性

構造計算による物性補完中

極性表面積: 72.6 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 9
形式電荷: 0
複雑度: 83.4

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 57.1% (4 of 7) of all reports.

Warning

H315 (42.9%): 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.