Penniclavine
[CAS# 519-13-1]

Identification

• Name: Penniclavine
• Synonyms: Penniclavine; 9,10-Didehydro-8-Hydroxy-6-Methylergoline-8Beta-Methanol; Ergoline-8-Methanol, 9,10-Didehydro-8-Hydroxy-6-Methyl-, (8Alpha)-
• Molecular Formula: C₁₆H₁₈N₂O₂
• Molecular Weight: 270.33
• CAS Registry Number: 519-13-1
• SMILES: [C@@H]14C(=C[C@@](CN1C)(O)CO)C2=C3C(=CC=C2)[NH]C=C3C4
• InChI: 1S/C16H18N2O2/c1-18-8-16(20,9-19)6-12-11-3-2-4-13-15(11)10(7-17-13)5-14(12)18/h2-4,6-7,14,17,19-20H,5,8-9H2,1H3/t14-,16+/m1/s1
• InChIKey: KCHBNRCSCHMJFD-ZBFHGGJFSA-N

Properties

• Density: 1.405g/cm³ (Cal.)
• Boiling point: 509.113°C at 760 mmHg (Cal.)
• Flash point: 261.702°C (Cal.)