(4R,5R,alphar)-1,3,4,5-Tetrahydro-4-(Methylamino)-alpha-(1-Methylethenyl)Benz[cd]Indole-5-Methanol
[CAS# 52052-66-1]

Identification

• Name: (4R,5R,alphar)-1,3,4,5-Tetrahydro-4-(Methylamino)-alpha-(1-Methylethenyl)Benz[cd]Indole-5-Methanol
• Synonyms: Paliclavine
• Molecular Formula: C₁₆H₂₀N₂O
• Molecular Weight: 256.35
• CAS Registry Number: 52052-66-1
• SMILES: [C@@H]1([C@@H](CC2=C[NH]C3=CC=CC1=C23)NC)[C@H](C(=C)C)O
• InChI: 1S/C16H20N2O/c1-9(2)16(19)15-11-5-4-6-12-14(11)10(8-18-12)7-13(15)17-3/h4-6,8,13,15-19H,1,7H2,2-3H3/t13-,15-,16+/m1/s1
• InChIKey: RYJKMWDFKMAASW-BMFZPTHFSA-N

Properties

• Density: 1.177g/cm³ (Cal.)
• Boiling point: 461.272°C at 760 mmHg (Cal.)
• Flash point: 232.769°C (Cal.)