4-Acetyl-1-Methyl-7-Pyridin-4-Yl-5,6,7,8-Tetrahydro-2H-Isoquinolin-3-One
[CAS# 107189-96-8]

Identification

• Name: 4-Acetyl-1-Methyl-7-Pyridin-4-Yl-5,6,7,8-Tetrahydro-2H-Isoquinolin-3-One
• Synonyms: 4-Acetyl-1-Methyl-7-(4-Pyridyl)-5,6,7,8-Tetrahydro-2H-Isoquinolin-3-One; 4-Ethanoyl-1-Methyl-7-Pyridin-4-Yl-5,6,7,8-Tetrahydro-2H-Isoquinolin-3-One; 3(2H)-Isoquinoline, 4-Acetyl-5,6,7,8-Tetrahydro-1-Methyl-7-(4-Pyridinyl)-
• Molecular Formula: C₁₇H₁₈N₂O₂
• Molecular Weight: 282.34
• CAS Registry Number: 107189-96-8
• SMILES: C3=C(C2CC1=C(NC(=O)C(=C1CC2)C(=O)C)C)C=CN=C3
• InChI: 1S/C17H18N2O2/c1-10-15-9-13(12-5-7-18-8-6-12)3-4-14(15)16(11(2)20)17(21)19-10/h5-8,13H,3-4,9H2,1-2H3,(H,19,21)
• InChIKey: NVTWQACIVZHUPA-UHFFFAOYSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 570.014°C at 760 mmHg (Cal.)
• Flash point: 298.534°C (Cal.)