1-Ethyl-3-(2-Methyl-2-Propanyl)-1,4,5,6,7,8-Hexahydropyrazolo[3,4-b]Azepine
[CAS# 583811-64-7]

Identification

• Name: 1-Ethyl-3-(2-Methyl-2-Propanyl)-1,4,5,6,7,8-Hexahydropyrazolo[3,4-b]Azepine
• Synonyms: 3-(tert-butyl)-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
• Molecular Formula: C₁₃H₂₃N₃
• Molecular Weight: 221.34
• CAS Registry Number: 583811-64-7
• SMILES: CCn1c2c(c(n1)C(C)(C)C)CCCCN2
• InChI: 1S/C13H23N3/c1-5-16-12-10(8-6-7-9-14-12)11(15-16)13(2,3)4/h14H,5-9H2,1-4H3
• InChIKey: IXUWSKJFAJELIP-UHFFFAOYSA-N

Properties

• Density: 1.069g/cm³ (Cal.)
• Boiling point: 337.272°C at 760 mmHg (Cal.)
• Flash point: 157.777°C (Cal.)
• Refractive index: 1.563 (Cal.)