Ethyl 1-(((8-beta)-6-methylergolin-8-yl)methyl)-1H-imidazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 1-(((8-beta)-6-methylergolin-8-yl)methyl)-1H-imidazole-5-carboxylate
• CAS No.: 160730-45-0
• Molecular Formula: C22H26 N4 O2
• Molecular Weight: 378.4674
• DSSTox Substance ID: DTXSID40936374
• Mol file: 160730-45-0.mol

Synonyms:Ethyl 1-(((8-beta)-6-methylergolin-8-yl)methyl)-1H-imidazole-5-carboxylate;1H-Imidazole-5-carboxylic acid, 1-(((8-beta)-6-methylergolin-8-yl)methyl)-, ethyl ester;160730-45-0;DTXSID40936374;LS-78245;Ethyl 1-[(6-methylergolin-8-yl)methyl]-1H-imidazole-5-carboxylate

Chemical Property of Ethyl 1-(((8-beta)-6-methylergolin-8-yl)methyl)-1H-imidazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 4.07E-15mmHg at 25°C
• Boiling Point: 616.2°Cat760mmHg
• Flash Point: 326.5°C
• Density: 1.36g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 378.20557608
• Heavy Atom Count: 28
• Complexity: 587

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN=CN1CC2CC3C(CC4=CNC5=CC=CC3=C45)N(C2)C
• Isomeric SMILES: CCOC(=O)C1=CN=CN1C[C@@H]2CC3[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C