6-Ethyl-8-(1H-1,2,4-triazol-1-ylmethyl)ergoline (8-beta)-

Base Information

• Chemical Name: 6-Ethyl-8-(1H-1,2,4-triazol-1-ylmethyl)ergoline (8-beta)-
• CAS No.: 160730-58-5
• Molecular Formula: C19H23 N5
• Molecular Weight: 321.4194
• DSSTox Substance ID: DTXSID30936383
• Mol file: 160730-58-5.mol

Synonyms:6-Ethyl-8-(1H-1,2,4-triazol-1-ylmethyl)ergoline (8-beta)-;Ergoline, 6-ethyl-8-(1H-1,2,4-triazol-1-ylmethyl)-, (8-beta)-;160730-58-5;DTXSID30936383;C19H23N5;C19-H23-N5;LS-64427;6-Ethyl-8-[(1H-1,2,4-triazol-1-yl)methyl]ergoline

Chemical Property of 6-Ethyl-8-(1H-1,2,4-triazol-1-ylmethyl)ergoline (8-beta)-

Chemical Property:

• Vapor Pressure: 1.68E-12mmHg at 25°C
• Boiling Point: 558.3°Cat760mmHg
• Flash Point: 291.5°C
• Density: 1.39g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 321.19534575
• Heavy Atom Count: 24
• Complexity: 457

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CN5C=NC=N5
• Isomeric SMILES: CCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=NC=N5