5,8,14-Triazatetracyclo[10.3.1.0^2,11.0^4,9]hexadeca-2,4(9),5,7,10-pentaen-13-one
[CAS# 873302-30-8]

Identification

• Name: 5,8,14-Triazatetracyclo[10.3.1.0^2,11.0^4,9]hexadeca-2,4(9),5,7,10-pentaen-13-one
• Synonyms: Varenicline Lactam
• Molecular Formula: C₁₃H₁₁N₃O
• Molecular Weight: 225.25
• CAS Registry Number: 873302-30-8
• SMILES: c1cnc2cc3c(cc2n1)C4CC3C(=O)NC4
• InChI: 1S/C13H11N3O/c17-13-10-3-7(6-16-13)8-4-11-12(5-9(8)10)15-2-1-14-11/h1-2,4-5,7,10H,3,6H2,(H,16,17)
• InChIKey: MQEPJJGUAJITEU-UHFFFAOYSA-N

Properties

• Density: 1.358g/cm³ (Cal.)
• Boiling point: 520.919°C at 760 mmHg (Cal.)
• Flash point: 268.842°C (Cal.)
• Refractive index: 1.687 (Cal.)