1H,5H-[1,4,5]Oxadiazepino[4,3-a]Benzimidazole
[CAS# 63681-27-6]

Identification

• Name: 1H,5H-[1,4,5]Oxadiazepino[4,3-a]Benzimidazole
• Synonyms: 1,5-dihydrobenzo[4,5]imidazo[2,1-c][1,4,5]oxadiazepine
• Molecular Formula: C₁₀H₉N₃O
• Molecular Weight: 187.20
• CAS Registry Number: 63681-27-6
• SMILES: c1ccc2c(c1)nc3n2NC=COC3
• InChI: 1S/C10H9N3O/c1-2-4-9-8(3-1)12-10-7-14-6-5-11-13(9)10/h1-6,11H,7H2
• InChIKey: VQLFOFHYVLTOTE-UHFFFAOYSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 370.323°C at 760 mmHg (Cal.)
• Flash point: 177.765°C (Cal.)