CAS 31633-72-4 Methyl 3-methyl-4-oxopiperidine-1-carboxylate (HCID 3015586)

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Basic information

CAS: 31633-72-4
Standard SMILES: COC(=O)N1CCC(=O)C(C)C1
InChIKey: JWXGBLNGCIGLBH-UHFFFAOYSA-N
Molecular formula: C8H13NO3
Average molar mass: 171.19 g/mol
Monoisotopic mass: 171.08954328

Names & identifiers

Preferred name: Methyl 3-methyl-4-oxopiperidine-1-carboxylate
IUPAC: methyl 3-methyl-4-oxopiperidine-1-carboxylate
English name: methyl 3-methyl-4-oxopiperidine-1-carboxylate
Molecular formula: C8H13NO3
Molecular weight: 171.19

Names & synonyms

Methyl 3-methyl-4-oxopiperidine-1-carboxylate31633-72-43-METHYL-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID METHYL ESTERMFCD09838568methyl3-methyl-4-oxopiperidine-1-carboxylateEINECS 250-740-5SCHEMBL2379075DTXSID90953591AC2420AKOS006328341SB36544CS-12242

Show more names

3-methyl-4-oxo-1-Piperidinecarboxylic acid methyl ester3-Methyl-4-oxopiperidine-1-carboxylic acid methyl ester1-Piperidinecarboxylic acid, 3-Methyl-4-oxo-, Methyl ester

SY041284DB-119399CS-0316192NS00050598methyl 3-methyl-4-oxo-1-piperidinecarboxylatemethyl 3-methyl-4-oxo-piperidine-1-carboxylateF721651racemic 3-methyl-4-oxo-piperidine-1-carboxylic acid methyl ester

Database identifiers

CAS: 31633-72-4
PubChem CID: 3015586
DTXSID: DTXSID90953591
EC Number: 250-740-5
Nikkaji: J278.159J

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 202

Physicochemical properties

Boiling point: 263.7 · 263.7±33.0 °C(Predicted)
Density: 1.129 · 1.129±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -1.61 · -1.61±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338