Hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one

CAS

71556-70-2

Catalog Number

ACM71556702

Category

Other Products

Molecular Weight

221.295460 [g/mol]

Molecular Formula

C₁₃H₁₉NO₂

MSDS COA Spec Sheet

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Specification

Synonyms

71556-70-2, Hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one, AG-G-80559, EINECS 275-618-9, AGN-PC-00IZBV, SureCN11170435, CTK5D4651, QC-1538, AK141816, 1-Methyl-3-(3-oxocyclohex-1-en-1-yl)azepan-2-one, 2H-Azepin-2-one, hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-, 2H-Azepin-2-one,hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-, 1-methyl-3-(3-oxocyclohex-1-en-1-yl)azepan-2-one;2H-azepin-2-one, hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-;

IUPAC Name

1-methyl-3-(3-oxocyclohexen-1-yl)azepan-2-one

Canonical SMILES

CN1CCCCC(C1=O)C2=CC(=O)CCC2

InChI Key

XJZQHHIPUDRJGJ-UHFFFAOYSA-N

Boiling Point

402.109ºC at 760 mmHg

Melting Point

109-110ºC

Flash Point

184.232ºC