Methyl 4-oxopiperidine-3-carboxylate hydrochloride

HCID 2724028CAS 71486-53-8

基本情報

標準SMILES: COC(=O)C1CNCCC1=O.Cl
InChIKey: NMAACQILAGCQPR-UHFFFAOYSA-N
分子式: C7H12ClNO3
平均分子量: 193.63 g/mol
単同位体質量: 193.05057092

名称と識別子

優先名称: Methyl 4-oxopiperidine-3-carboxylate hydrochloride
IUPAC: methyl 4-oxopiperidine-3-carboxylate;hydrochloride

名称と別名

Methyl 4-oxopiperidine-3-carboxylate hydrochlorideMethyl 4-oxopiperidine-3-carboxylate HClEINECS 275-526-9RefChem:816571275-526-971486-53-8Methyl 4-oxo-3-piperidinecarboxylate hydrochloride56026-52-9methyl 4-oxopiperidine-3-carboxylate;hydrochlorideMethyl 4-oxopiperidine-3-carboxylate xhydrochlorideMFCD000127693-Methoxycarbonyl-4-piperidone hydrochloride

名称をさらに表示

4-Oxo-piperidine-3-carboxylic acid methyl ester hydrochloridemethyl 4-oxo-3-piperdinecarboxylate hydrochloridemethyl 4-oxopiperidine-3-carboxylate, chloride3-Piperidinecarboxylic acid, 4-oxo-, methyl ester, hydrochloridemethyl-4-oxo-3-piperidine carboxylate hydrochlorideSCHEMBL653032DTXSID009919243-methoxycarbonyl 4-piperidone HCl

データベース識別子

CAS: 71486-53-8
PubChem CID: 2724028
DTXSID: DTXSID00991924
EC Number: 275-526-9

物性

構造計算による物性

極性表面積: 55.4 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 179

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.