(8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide

Base Information

• Chemical Name: (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide
• CAS No.: 64080-28-0
• Molecular Formula: C21H29 N3 O
• Molecular Weight: 339.4745
• DSSTox Substance ID: DTXSID80982577
• Mol file: 64080-28-0.mol

Synonyms:BRN 0707717;(8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide;Ergoline-8-acetamide, N-(1,1-dimethylethyl)-6-methyl-, (8-beta)-;64080-28-0;DTXSID80982577;LS-64301;N-tert-Butyl-2-(6-methylergolin-8-yl)ethanimidic acid

Chemical Property of (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide

Chemical Property:

• Vapor Pressure: 7.29E-13mmHg at 25°C
• Boiling Point: 566.8°Cat760mmHg
• Flash Point: 296.6°C
• Density: 1.118g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 339.231062557
• Heavy Atom Count: 25
• Complexity: 514

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=O)CC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C
• Isomeric SMILES: CC(C)(C)NC(=O)C[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C