(8alpha,10xi)-6-Allylergoline-8-carboxylic acid
[CAS# 86891-15-8]

Identification

• Name: (8alpha,10xi)-6-Allylergoline-8-carboxylic acid
• Synonyms: (8-α)-6-(2-Propenyl)ergoline-8-carboxylic acid; 6-Allyldihydronorisolysergic acid
• Molecular Formula: C₁₈H₂₀N₂O₂
• Molecular Weight: 296.36
• CAS Registry Number: 86891-15-8
• SMILES: O=C(O)[C@H]2CC3c4cccc1c4c(cn1)C[C@H]3N(C2)C\C=C
• InChI: 1S/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12-,14?,16+/m0/s1
• InChIKey: YAICYXFUKKMAKO-RAAOQPIXSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 530.37°C at 760 mmHg (Cal.)
• Flash point: 274.558°C (Cal.)