3-Ethylhexahydro-1-Methyl-3-(3-Oxo-1-Cyclohexen-1-Yl)-2H-Azepin-2-One
[CAS# 71556-77-9]

Identification

• Name: 3-Ethylhexahydro-1-Methyl-3-(3-Oxo-1-Cyclohexen-1-Yl)-2H-Azepin-2-One
• Synonyms: 3-Ethyl-1-Methyl-3-(3-Oxo-1-Cyclohexenyl)-2-Azepanone; 3-Ethyl-3-(3-Keto-1-Cyclohexenyl)-1-Methyl-Azepan-2-One; 3-Ethylhexahydro-1-Methyl-3-(3-Oxo-1-Cyclohexen-1-Yl)-2H-Azepin-2-One
• Molecular Formula: C₁₅H₂₃NO₂
• Molecular Weight: 249.35
• CAS Registry Number: 71556-77-9
• EINECS: 275-623-6
• SMILES: C(C2(C1=CC(=O)CCC1)C(=O)N(CCCC2)C)C
• InChI: 1S/C15H23NO2/c1-3-15(12-7-6-8-13(17)11-12)9-4-5-10-16(2)14(15)18/h11H,3-10H2,1-2H3
• InChIKey: PHWHMJKWJICNLX-UHFFFAOYSA-N

Properties

• Density: 1.058g/cm³ (Cal.)
• Boiling point: 411.742°C at 760 mmHg (Cal.)
• Flash point: 179.27°C (Cal.)