Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-

Base Information

• Chemical Name: Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-
• CAS No.: 113702-01-5
• Molecular Formula: C20H26 N2 O
• Molecular Weight: 310.4332
• DSSTox Substance ID: DTXSID00150534
• Wikidata: Q76280432
• Mol file: 113702-01-5.mol

Synonyms:1-(t-Butyl)-9,10-didehydro-6-methyl-8-beta-hydroxymethylergoline;Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-;(8-beta)-9,10-Didehydro-1-(1,1-dimethylethyl)-6-methylergoline-8-methanol;113702-01-5;DTXSID00150534;LS-64436

Chemical Property of Ergoline-8-methanol, 9,10-didehydro-1-(1,1-dimethylethyl)-6-methyl-, (8-beta)-

Chemical Property:

• Vapor Pressure: 1.46E-10mmHg at 25°C
• Boiling Point: 493.6°C at 760 mmHg
• Flash Point: 252.3°C
• Density: 1.2g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 310.204513457
• Heavy Atom Count: 23
• Complexity: 463

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C=C2CC3C(=CC(CN3C)CO)C4=C2C1=CC=C4
• Isomeric SMILES: CCCCN1C=C2C[C@@H]3C(=C[C@H](CN3C)CO)C4=C2C1=CC=C4