2-Chloro-alpha-cyano-6-methylergoline-8-propionamide

Base Information

• Chemical Name: 2-Chloro-alpha-cyano-6-methylergoline-8-propionamide
• CAS No.: 74627-56-8
• Molecular Formula: C19H21ClN4O
• Molecular Weight: 356.8492
• DSSTox Substance ID: DTXSID50996146
• Mol file: 74627-56-8.mol

Synonyms:Ergoline-8-propanamide, 2-chloro-alpha-cyano-6-methyl-, (8-beta)-;2-Chloro-alpha-cyano-6-methylergoline-8-propionamide;Ergoline-8-propionamide, 2-chloro-alpha-cyano-6-methyl-, (8-beta)-;74627-56-8;C19-H21-Cl-N4-O;DTXSID50996146;LS-64501;3-(2-Chloro-6-methylergolin-8-yl)-2-cyanopropanimidic acid

Chemical Property of 2-Chloro-alpha-cyano-6-methylergoline-8-propionamide

Chemical Property:

• Vapor Pressure: 4.23E-16mmHg at 25°C
• Boiling Point: 636.5°C at 760 mmHg
• Flash Point: 338.7°C
• Density: 1.316g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 356.1403890
• Heavy Atom Count: 25
• Complexity: 589

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC(CC2C1CC3=C(NC4=CC=CC2=C34)Cl)CC(C#N)C(=O)N
• Isomeric SMILES: CN1C[C@@H](CC2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CC(C#N)C(=O)N