Methyl 4-oxopiperidine-3-carboxylate hydrochloride

HCID 2724028CAS 71486-53-8

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Basic information

Standard SMILES: COC(=O)C1CNCCC1=O.Cl
InChIKey: NMAACQILAGCQPR-UHFFFAOYSA-N
Molecular formula: C7H12ClNO3
Average molar mass: 193.63 g/mol
Monoisotopic mass: 193.05057092

Names & identifiers

Preferred name: Methyl 4-oxopiperidine-3-carboxylate hydrochloride
IUPAC: methyl 4-oxopiperidine-3-carboxylate;hydrochloride

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 179

Safety & regulation

GHS classification

GHS Classification · 4 items

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.