3-(1-Benzofuran-2-Yl)-1-(3-Methylphenyl)-1,4,5,6,7,8-Hexahydropyrazolo[3,4-b]Azepine
[CAS# 574701-15-8]

Identification

• Name: 3-(1-Benzofuran-2-Yl)-1-(3-Methylphenyl)-1,4,5,6,7,8-Hexahydropyrazolo[3,4-b]Azepine
• Synonyms: Pyrazolo[3,4-b]azepine,3-(2-benzofuranyl)-1,4,5,6,7,8-hexahydro-1-(3-methylphenyl)-
• Molecular Formula: C₂₂H₂₁N₃O
• Molecular Weight: 343.42
• CAS Registry Number: 574701-15-8
• SMILES: Cc1cccc(c1)n2c3c(c(n2)c4cc5ccccc5o4)CCCCN3
• InChI: 1S/C22H21N3O/c1-15-7-6-9-17(13-15)25-22-18(10-4-5-12-23-22)21(24-25)20-14-16-8-2-3-11-19(16)26-20/h2-3,6-9,11,13-14,23H,4-5,10,12H2,1H3
• InChIKey: FWGJILHDMPLJMZ-UHFFFAOYSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 563.899°C at 760 mmHg (Cal.)
• Flash point: 294.835°C (Cal.)
• Refractive index: 1.684 (Cal.)