1-(3-Butyn-1-yl)-3a-methyl-1,3,3a,4,5,6-hexahydro-2H-indol-2-one
[CAS# 810681-62-0]

Identification

• Name: 1-(3-Butyn-1-yl)-3a-methyl-1,3,3a,4,5,6-hexahydro-2H-indol-2-one
• Synonyms: 1-(but-3-yn-1-yl)-3a-methyl-3a,4,5,6-tetrahydro-1H-indol-2(3H)-one
• Molecular Formula: C₁₃H₁₇NO
• Molecular Weight: 203.28
• CAS Registry Number: 810681-62-0
• SMILES: O=C2N(/C1=C/CCCC1(C2)C)CCC#C
• InChI: 1S/C13H17NO/c1-3-4-9-14-11-7-5-6-8-13(11,2)10-12(14)15/h1,7H,4-6,8-10H2,2H3
• InChIKey: PTHHIMOOWQIDDF-UHFFFAOYSA-N

Properties

• Density: 1.082g/cm³ (Cal.)
• Boiling point: 357.245°C at 760 mmHg (Cal.)
• Flash point: 164.879°C (Cal.)
• Refractive index: 1.547 (Cal.)