1,4-Diazepan-1-yl(2-methylphenyl)methanone
[CAS# 815650-72-7]

Identification

• Name: 1,4-Diazepan-1-yl(2-methylphenyl)methanone
• Synonyms: (1,4-diazepan-1-yl)(o-tolyl)methanone; 1-[(2-methylphenyl)carbonyl]-1,4-diazepane
• Molecular Formula: C₁₃H₁₈N₂O
• Molecular Weight: 218.29
• CAS Registry Number: 815650-72-7
• SMILES: O=C(N1CCNCCC1)c2ccccc2C
• InChI: 1S/C13H18N2O/c1-11-5-2-3-6-12(11)13(16)15-9-4-7-14-8-10-15/h2-3,5-6,14H,4,7-10H2,1H3
• InChIKey: GYPQIIGVRMDLPN-UHFFFAOYSA-N

Properties

• Density: 1.067g/cm³ (Cal.)
• Boiling point: 381.473°C at 760 mmHg (Cal.)
• Flash point: 184.508°C (Cal.)
• Refractive index: 1.543 (Cal.)