1-Allylelymoclavine
[CAS# 91897-48-2]

Identification

• Name: 1-Allylelymoclavine
• Synonyms: Ergoline-8-Methanol, 8,9-Didehydro-6-Methyl-2-(2-Propenyl)-; 1-Allylelymoclavine; 8,9-Didehydro-6-Methyl-2-(2-Propenyl)Ergoline-8-Methanol
• Molecular Formula: C₁₉H₂₂N₂O
• Molecular Weight: 294.40
• CAS Registry Number: 91897-48-2
• SMILES: [C@@H]12[C@H](N(CC(=C1)CO)C)CC3=C[N](C4=CC=CC2=C34)CC=C
• InChI: 1S/C19H22N2O/c1-3-7-21-11-14-9-18-16(8-13(12-22)10-20(18)2)15-5-4-6-17(21)19(14)15/h3-6,8,11,16,18,22H,1,7,9-10,12H2,2H3/t16-,18-/m1/s1
• InChIKey: INGYAWPTEWYFHI-SJLPKXTDSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 484.596°C at 760 mmHg (Cal.)
• Flash point: 246.875°C (Cal.)