(5R,8S,10R)-6-Methyl-8-(2-tetrazolylmethyl)ergoline

Base Information

• Chemical Name: (5R,8S,10R)-6-Methyl-8-(2-tetrazolylmethyl)ergoline
• CAS No.: 115178-37-5
• Molecular Formula: C17H20 N6
• Molecular Weight: 308.3809
• DSSTox Substance ID: DTXSID40921644
• Mol file: 115178-37-5.mol

Synonyms:6-Methyl-8-alpha-(2H-tetrazol-1-ylmethyl)ergoline;(5R,8S,10R)-6-Methyl-8-(2-tetrazolylmethyl)ergoline;Ergoline, 6-methyl-8-(2H-tetrazol-1-ylmethyl)-, (8-alpha)-;115178-37-5;DTXSID40921644;LS-64478;6-Methyl-8-[(2H-tetrazol-2-yl)methyl]ergoline

Chemical Property of (5R,8S,10R)-6-Methyl-8-(2-tetrazolylmethyl)ergoline

Chemical Property:

• Vapor Pressure: 4.06E-12mmHg at 25°C
• Boiling Point: 549.3°C at 760 mmHg
• Flash Point: 286°C
• Density: 1.51g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 308.17494466
• Heavy Atom Count: 23
• Complexity: 445

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CN5N=CN=N5
• Isomeric SMILES: CN1C[C@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CN5N=CN=N5