3-(1-Benzofuran-2-Yl)-1-Methyl-1,4,5,6,7,8-Hexahydropyrazolo[3,4-b]Azepine
[CAS# 583811-50-1]

Identification

• Name: 3-(1-Benzofuran-2-Yl)-1-Methyl-1,4,5,6,7,8-Hexahydropyrazolo[3,4-b]Azepine
• Synonyms: 3-(benzofuran-2-yl)-1-methyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
• Molecular Formula: C₁₆H₁₇N₃O
• Molecular Weight: 267.33
• CAS Registry Number: 583811-50-1
• SMILES: Cn1c2c(c(n1)c3cc4ccccc4o3)CCCCN2
• InChI: 1S/C16H17N3O/c1-19-16-12(7-4-5-9-17-16)15(18-19)14-10-11-6-2-3-8-13(11)20-14/h2-3,6,8,10,17H,4-5,7,9H2,1H3
• InChIKey: WXXCOTSZRCCNNM-UHFFFAOYSA-N

Properties

• Density: 1.324g/cm³ (Cal.)
• Boiling point: 475.939°C at 760 mmHg (Cal.)
• Flash point: 241.639°C (Cal.)
• Refractive index: 1.692 (Cal.)