(8beta)-8-(Methoxymethyl)-1,6-dimethyl-9,10-didehydroergoline
[CAS# 87633-43-0]

Identification

• Name: (8beta)-8-(Methoxymethyl)-1,6-dimethyl-9,10-didehydroergoline
• Synonyms: (8-β)-9,10-Didehydro-1,6-dimethyl-8-(methoxymethyl)ergoline; 1-Methyllysergol methyl ester; 1-Methyllysergol methyl ether
• Molecular Formula: C₁₈H₂₂N₂O
• Molecular Weight: 282.38
• CAS Registry Number: 87633-43-0
• SMILES: O(C)C[C@@H]3/C=C2/c4cccc1c4c(cn1C)C[C@H]2N(C3)C
• InChI: 1S/C18H22N2O/c1-19-9-12(11-21-3)7-15-14-5-4-6-16-18(14)13(8-17(15)19)10-20(16)2/h4-7,10,12,17H,8-9,11H2,1-3H3/t12-,17-/m1/s1
• InChIKey: RDFYKYSMKHNJGY-SJKOYZFVSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 449.099°C at 760 mmHg (Cal.)
• Flash point: 225.407°C (Cal.)