Methyl 4-oxopiperidine-3-carboxylate hydrochloride

HCID 2724028CAS 71486-53-8

기본 정보

표준 SMILES: COC(=O)C1CNCCC1=O.Cl
InChIKey: NMAACQILAGCQPR-UHFFFAOYSA-N
분자식: C7H12ClNO3
평균 분자량: 193.63 g/mol
단동위원소 질량: 193.05057092

이름 및 식별자

우선 이름: Methyl 4-oxopiperidine-3-carboxylate hydrochloride
IUPAC: methyl 4-oxopiperidine-3-carboxylate;hydrochloride

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 55.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 179

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