2,9,11-Triazatetracyclo[10.2.1.0^2,10.0^3,8]Pentadeca-3,5,7,10,13-Pentaene
[CAS# 143262-50-4]

Identification

• Name: 2,9,11-Triazatetracyclo[10.2.1.0^2,10.0^3,8]Pentadeca-3,5,7,10,13-Pentaene
• Synonyms: 2,5-dihydro-1H-2,5-methanobenzo[4,5]imidazo[1,2-a][1,3]diazepine
• Molecular Formula: C₁₂H₁₁N₃
• Molecular Weight: 197.24
• CAS Registry Number: 143262-50-4
• SMILES: c1ccc2c(c1)nc3n2C4CC(N3)C=C4
• InChI: 1S/C12H11N3/c1-2-4-11-10(3-1)14-12-13-8-5-6-9(7-8)15(11)12/h1-6,8-9H,7H2,(H,13,14)
• InChIKey: FKUVHYKSJPLKPX-UHFFFAOYSA-N

Properties

• Density: 1.495g/cm³ (Cal.)
• Boiling point: 392.518°C at 760 mmHg (Cal.)
• Flash point: 191.188°C (Cal.)
• Refractive index: 1.826 (Cal.)