3-Ethylhexahydro-3-(3-Methoxyphenyl)-1-Methyl-2H-Azepin-2-One
[CAS# 71556-72-4]

Identification

• Name: 3-Ethylhexahydro-3-(3-Methoxyphenyl)-1-Methyl-2H-Azepin-2-One
• Synonyms: 3-Ethyl-3-(3-Methoxyphenyl)-1-Methyl-Azepan-2-One; 3-Ethyl-3-(3-Methoxyphenyl)-1-Methyl-2-Azepanone; Oprea1_302180
• Molecular Formula: C₁₆H₂₃NO₂
• Molecular Weight: 261.36
• CAS Registry Number: 71556-72-4
• EINECS: 275-619-4
• SMILES: C1=C(C=CC=C1C2(C(N(CCCC2)C)=O)CC)OC
• InChI: 1S/C16H23NO2/c1-4-16(10-5-6-11-17(2)15(16)18)13-8-7-9-14(12-13)19-3/h7-9,12H,4-6,10-11H2,1-3H3
• InChIKey: AFBQUXAODCBPRJ-UHFFFAOYSA-N

Properties

• Density: 1.021g/cm³ (Cal.)
• Boiling point: 411.158°C at 760 mmHg (Cal.)
• Flash point: 202.461°C (Cal.)