5,7,13-Triazatetracyclo[9.3.1.0^2,10.0^4,8]Pentadeca-2(10),3,5,8-Tetraene
[CAS# 357424-12-5]

Identification

• Name: 5,7,13-Triazatetracyclo[9.3.1.0^2,10.0^4,8]Pentadeca-2(10),3,5,8-Tetraene
• Synonyms: 1,5,6,7,8,9-hexahydro-5,9-methanoimidazo[4',5':4,5]benzo[1,2-d]azepine; 5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene
• Molecular Formula: C₁₂H₁₃N₃
• Molecular Weight: 199.25
• CAS Registry Number: 357424-12-5
• SMILES: C1C2CNCC1C3=CC4=C(C=C23)NC=N4
• InChI: 1S/C12H13N3/c1-7-4-13-5-8(1)10-3-12-11(2-9(7)10)14-6-15-12/h2-3,6-8,13H,1,4-5H2,(H,14,15)
• InChIKey: SPAMUHJHVULSFR-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 492.0±35.0°C at 760 mmHg (Cal.)
• Flash point: 251.4±25.9°C (Cal.)
• Refractive index: 1.696 (Cal.)