(1S,4R)-2-(2-Butyn-1-yl)-2-azabicyclo[2.2.1]hept-5-en-3-one
[CAS# 666256-77-5]

Identification

• Name: (1S,4R)-2-(2-Butyn-1-yl)-2-azabicyclo[2.2.1]hept-5-en-3-one
• Synonyms: (1S,4R)-2-(but-2-yn-1-yl)-2-azabicyclo[2.2.1]hept-5-en-3-one
• Molecular Formula: C₁₀H₁₁NO
• Molecular Weight: 161.20
• CAS Registry Number: 666256-77-5
• SMILES: CC#CCN1[C@H]2C[C@@H](C1=O)C=C2
• InChI: 1S/C10H11NO/c1-2-3-6-11-9-5-4-8(7-9)10(11)12/h4-5,8-9H,6-7H2,1H3/t8-,9+/m0/s1
• InChIKey: BFEPYHNHMRMUQL-DTWKUNHWSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 318.666°C at 760 mmHg (Cal.)
• Flash point: 151.158°C (Cal.)
• Refractive index: 1.566 (Cal.)