Secaclavine
[CAS# 2390-99-0]

Identification

• Name: Secaclavine
• Synonyms: Chanoclavine-I; 2-Propen-1-Ol, 2-Methyl-3-(1,3,4,5-Tetrahydro-4-(Methylamino)Benz(Cd)Indol-5-Yl)-, (4R-(4Alpha,5Beta(E)))-; Chanoclavin-I
• Molecular Formula: C₁₆H₂₀N₂O
• Molecular Weight: 256.35
• CAS Registry Number: 2390-99-0
• SMILES: [C@@H]1([C@@H](CC2=C[NH]C3=CC=CC1=C23)NC)/C=C(/CO)C
• InChI: 1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15-/m1/s1
• InChIKey: SAHHMCVYMGARBT-HEESEWQSSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 470.1±45.0°C at 760 mmHg (Cal.)
• Flash point: 238.1±28.7°C (Cal.)