4-(2-Methylphenyl)-1,4-diazepan-5-one
[CAS# 797793-18-1]

Identification

• Name: 4-(2-Methylphenyl)-1,4-diazepan-5-one
• Synonyms: 4-(o-tolyl)-1,4-diazepan-5-one
• Molecular Formula: C₁₂H₁₆N₂O
• Molecular Weight: 204.27
• CAS Registry Number: 797793-18-1
• SMILES: Cc1ccccc1N2CCNCCC2=O
• InChI: 1S/C12H16N2O/c1-10-4-2-3-5-11(10)14-9-8-13-7-6-12(14)15/h2-5,13H,6-9H2,1H3
• InChIKey: DOXKYFUNTSXLAO-UHFFFAOYSA-N

Properties

• Density: 1.085g/cm³ (Cal.)
• Boiling point: 435.883°C at 760 mmHg (Cal.)
• Flash point: 217.414°C (Cal.)
• Refractive index: 1.543 (Cal.)