(8-beta)-8-Methyl-6-(2-Propenyl)Ergoline
[CAS# 98931-10-3]

Identification

• Name: (8-beta)-8-Methyl-6-(2-Propenyl)Ergoline
• Synonyms: (8-Beta)-8-Methyl-6-(2-Propenyl)Ergoline; 6-Allyl-6-Norfestuclavine; Brn 5573269
• Molecular Formula: C₁₈H₂₂N₂
• Molecular Weight: 266.39
• CAS Registry Number: 98931-10-3
• SMILES: [C@@H]34CC1=C[NH]C2=CC=CC(=C12)C3C[C@H](CN4CC=C)C
• InChI: 1S/C18H22N2/c1-3-7-20-11-12(2)8-15-14-5-4-6-16-18(14)13(10-19-16)9-17(15)20/h3-6,10,12,15,17,19H,1,7-9,11H2,2H3/t12-,15?,17-/m1/s1
• InChIKey: VHNVZINWJUDCSU-XURPUJGUSA-N

Properties

• Density: 1.095g/cm³ (Cal.)
• Boiling point: 429.809°C at 760 mmHg (Cal.)
• Flash point: 213.741°C (Cal.)