1-Acetyl-9,10-Didehydro-N-Ethyl-6-Methylergoline-8beta-Carboxamide
[CAS# 50485-03-5]

Identification

• Name: 1-Acetyl-9,10-Didehydro-N-Ethyl-6-Methylergoline-8beta-Carboxamide
• Synonyms: 1-Acetyllysergic Acid Ethylamide; Ala-10; Brn 0051958
• Molecular Formula: C₂₀H₂₃N₃O₂
• Molecular Weight: 337.42
• CAS Registry Number: 50485-03-5
• SMILES: [C@H]4(C(NCC)=O)CN([C@@H]3CC1=C[N](C2=CC=CC(=C12)C3=C4)C(=O)C)C
• InChI: 1S/C20H23N3O2/c1-4-21-20(25)14-8-16-15-6-5-7-17-19(15)13(11-23(17)12(2)24)9-18(16)22(3)10-14/h5-8,11,14,18H,4,9-10H2,1-3H3,(H,21,25)/t14-,18-/m1/s1
• InChIKey: UKRWCEJTOPSTEC-RDTXWAMCSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 583.721°C at 760 mmHg (Cal.)
• Flash point: 306.824°C (Cal.)