Piquindone
[CAS# 78541-97-6]

Identification

• Name: Piquindone
• Synonyms: Piquindonum [Latin]; Ro-221319; 4H-Pyrrolo(2,3-G)Isoquinolin-4-One, 3-Ethyl-1,4A,5,6,7,8,8A,9-Octahydro-2,6-Dimethyl-, Trans-(+-)-
• Molecular Formula: C₁₅H₂₂N₂O
• Molecular Weight: 246.35
• CAS Registry Number: 78541-97-6
• SMILES: [C@H]12C(C3=C(C[C@@H]1CCN(C2)C)[NH]C(=C3CC)C)=O
• InChI: 1S/C15H22N2O/c1-4-11-9(2)16-13-7-10-5-6-17(3)8-12(10)15(18)14(11)13/h10,12,16H,4-8H2,1-3H3/t10-,12+/m0/s1
• InChIKey: PVZMYDPRVUCJKV-CMPLNLGQSA-N

Properties

• Density: 1.104g/cm³ (Cal.)
• Boiling point: 418.998°C at 760 mmHg (Cal.)
• Flash point: 207.203°C (Cal.)