1-(2(1H)-Isoquinolinyl)-1-Propanone
[CAS# 300661-48-7]

Identification

• Name: 1-(2(1H)-Isoquinolinyl)-1-Propanone
• Synonyms: 1-(isoquinolin-2(1H)-yl)propan-1-one
• Molecular Formula: C₁₂H₁₃NO
• Molecular Weight: 187.24
• CAS Registry Number: 300661-48-7
• SMILES: CCC(=O)N1Cc2ccccc2C=C1
• InChI: 1S/C12H13NO/c1-2-12(14)13-8-7-10-5-3-4-6-11(10)9-13/h3-8H,2,9H2,1H3
• InChIKey: MDQZPKUGTZFVJY-UHFFFAOYSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 363.4°C at 760 mmHg (Cal.)
• Flash point: 173.585°C (Cal.)
• Refractive index: 1.572 (Cal.)