2-Chloro-8beta-(1H-imidazol-1-ylmethyl)-6-methylergoline

Base Information

• Chemical Name: 2-Chloro-8beta-(1H-imidazol-1-ylmethyl)-6-methylergoline
• CAS No.: 160730-52-9
• Molecular Formula: C19H21ClN4
• Molecular Weight: 340.8498
• DSSTox Substance ID: DTXSID80936378

Synonyms:Ergoline, 2-chloro-8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)-;2-Chloro-8beta-(1H-imidazol-1-ylmethyl)-6-methylergoline;160730-52-9;C19-H21-Cl-N4;DTXSID80936378;LS-64394;2-Chloro-8-[(1H-imidazol-1-yl)methyl]-6-methylergoline

Chemical Property of 2-Chloro-8beta-(1H-imidazol-1-ylmethyl)-6-methylergoline

Chemical Property:

• Vapor Pressure: 1.02E-13mmHg at 25°C
• Boiling Point: 586.1°Cat760mmHg
• Flash Point: 308.2°C
• Density: 1.44g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 340.1454744
• Heavy Atom Count: 24
• Complexity: 474

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CN1CC(CC2C1CC3=C(NC4=CC=CC2=C34)Cl)CN5C=CN=C5
• Isomeric SMILES: CN1C[C@@H](CC2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CN5C=CN=C5

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