2,9,11-Triazatetracyclo[10.2.1.0^2,10.0^3,8]Pentadeca-3,5,7,9-Tetraene
[CAS# 143262-54-8]

Identification

• Name: 2,9,11-Triazatetracyclo[10.2.1.0^2,10.0^3,8]Pentadeca-3,5,7,9-Tetraene
• Synonyms: 2,3,4,5-tetrahydro-1H-2,5-methanobenzo[4,5]imidazo[1,2-a][1,3]diazepine; 2,5-Methano-1H-[1,3]diazepino[1,2-a]benzimidazole, 2,3,4,5-tetrahydro-; AIDS143404
• Molecular Formula: C₁₂H₁₃N₃
• Molecular Weight: 199.25
• CAS Registry Number: 143262-54-8
• SMILES: C1CC2CC1NC3=NC4=CC=CC=C4N23
• InChI: 1S/C12H13N3/c1-2-4-11-10(3-1)14-12-13-8-5-6-9(7-8)15(11)12/h1-4,8-9H,5-7H2,(H,13,14)
• InChIKey: XNFOQALYCRDBLT-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 388.4±25.0°C at 760 mmHg (Cal.)
• Flash point: 188.7±23.2°C (Cal.)
• Refractive index: 1.826 (Cal.)