1-[6,7-Dimethoxy-1-(4-nitrophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]ethanone
[CAS# 66040-42-4]

Identification

• Name: 1-[6,7-Dimethoxy-1-(4-nitrophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]ethanone
• Synonyms: 1-[6,7-Dimethoxy-1-(4-nitro-phenyl); 1-[6,7-Dimethoxy-1-(4-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone; 2-acetyl-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
• Molecular Formula: C₁₉H₂₀N₂O₅
• Molecular Weight: 356.37
• CAS Registry Number: 66040-42-4
• SMILES: CC(=O)N1CCC2=CC(=C(C=C2C1C3=CC=C(C=C3)[N+](=O)[O-])OC)OC
• InChI: 1S/C19H20N2O5/c1-12(22)20-9-8-14-10-17(25-2)18(26-3)11-16(14)19(20)13-4-6-15(7-5-13)21(23)24/h4-7,10-11,19H,8-9H2,1-3H3
• InChIKey: OIFIJKJQAGAGKY-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 183-185°C (Expl.)
• Boiling point: 548.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 285.5±30.1°C (Cal.)