6-Methyl-8-beta-(isoxazol-5-yl)ergoline

Base Information

• Chemical Name: 6-Methyl-8-beta-(isoxazol-5-yl)ergoline
• CAS No.: 116979-30-7
• Molecular Formula: C18H19 N3 O
• Molecular Weight: 293.363
• DSSTox Substance ID: DTXSID30922226
• Mol file: 116979-30-7.mol

Synonyms:6-Methyl-8-beta-(isoxazol-5-yl)ergoline;(8-beta)-8-(5-Isoxazolyl)-6-methylergoline;Ergoline, 8-(5-isoxazolyl)-6-methyl-, (8-beta)-;116979-30-7;DTXSID30922226;6-Methyl-8-(1,2-oxazol-5-yl)ergoline;LS-64432

Chemical Property of 6-Methyl-8-beta-(isoxazol-5-yl)ergoline

Chemical Property:

• Vapor Pressure: 4.93E-11mmHg at 25°C
• Boiling Point: 523°C at 760 mmHg
• Flash Point: 270.1°C
• Density: 1.252g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 293.152812238
• Heavy Atom Count: 22
• Complexity: 431

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC(CC2C1CC3=CNC4=CC=CC2=C34)C5=CC=NO5
• Isomeric SMILES: CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C5=CC=NO5