1,4-Diazepan-1-yl(3-methylphenyl)methanone
[CAS# 815650-83-0]

Identification

• Name: 1,4-Diazepan-1-yl(3-methylphenyl)methanone
• Synonyms: (1,4-diazepan-1-yl)(m-tolyl)methanone; 1-[(3-methylphenyl)carbonyl]-1,4-diazepane
• Molecular Formula: C₁₃H₁₈N₂O
• Molecular Weight: 218.29
• CAS Registry Number: 815650-83-0
• SMILES: O=C(N1CCNCCC1)c2cccc(C)c2
• InChI: 1S/C13H18N2O/c1-11-4-2-5-12(10-11)13(16)15-8-3-6-14-7-9-15/h2,4-5,10,14H,3,6-9H2,1H3
• InChIKey: IBXDPKVPNFWIDO-UHFFFAOYSA-N

Properties

• Density: 1.067g/cm³ (Cal.)
• Boiling point: 384.643°C at 760 mmHg (Cal.)
• Flash point: 186.426°C (Cal.)
• Refractive index: 1.543 (Cal.)