3H-[1,4]Diazepino[1,2-a]Benzimidazole
[CAS# 246-20-8]

Identification

• Name: 3H-[1,4]Diazepino[1,2-a]Benzimidazole
• Synonyms: 3H-benzo[4,5]imidazo[1,2-a][1,4]diazepine
• Molecular Formula: C₁₁H₉N₃
• Molecular Weight: 183.21
• CAS Registry Number: 246-20-8
• SMILES: c1ccc2c(c1)nc3n2C=CCN=C3
• InChI: 1S/C11H9N3/c1-2-5-10-9(4-1)13-11-8-12-6-3-7-14(10)11/h1-5,7-8H,6H2
• InChIKey: YFAGAZPWGUEYFQ-UHFFFAOYSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 388.614°C at 760 mmHg (Cal.)
• Flash point: 188.827°C (Cal.)
• Refractive index: 1.698 (Cal.)