1-Acetamido-4-cyano-3-methylisoquinoline

Base Information

• Chemical Name: 1-Acetamido-4-cyano-3-methylisoquinoline
• CAS No.: 179985-52-5
• Molecular Formula: C13H11N3O
• Molecular Weight: 225.25
• DSSTox Substance ID: DTXSID00395105
• Wikidata: Q82194936
• Mol file: 179985-52-5.mol

Synonyms:179985-52-5;1-ACETAMIDO-4-CYANO-3-METHYLISOQUINOLINE;N-(4-cyano-3-methylisoquinolin-1-yl)acetamide;PKA-IN-1;1-Acetamido-3-methyl-4-cyanosoqinoline;Acetamide, N-(4-cyano-3-methyl-1-isoquinolinyl)-;N-(4-cyano-3-methyl-1-isoquinolinyl)acetamide;SCHEMBL21545934;DTXSID00395105;AKOS027446337;AB17358;MS-23270;HY-115732;CS-0254604;FT-0643737;A812511;J-011487

Chemical Property of 1-Acetamido-4-cyano-3-methylisoquinoline

Chemical Property:

• Appearance/Colour: Pink Solid
• Vapor Pressure: 9.74E-10mmHg at 25°C
• Melting Point: 200-202 °C
• Refractive Index: 1.632
• Boiling Point: 489.7 °C at 760 mmHg
• Flash Point: 250 °C
• PSA: 65.78000
• Density: 1.24 g/cm³
• LogP: 2.44628
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 225.090211983
• Heavy Atom Count: 17
• Complexity: 346

Purity/Quality:

98%min ^*data from raw suppliers

1-Acetamido-4-cyano-3-methylisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2C(=N1)NC(=O)C)C#N
• Uses: A selective inhibitor of cyclic AMP-dependent protein kinase (PKA)