1-Cyano-N,N-dimethylisoquinoline-2(1H)-carboxamide

Base Information

• Chemical Name: 1-Cyano-N,N-dimethylisoquinoline-2(1H)-carboxamide
• CAS No.: 102249-87-6
• Molecular Formula: C13H13N3O
• Molecular Weight: 227.266
• DSSTox Substance ID: DTXSID50542561
• Mol file: 102249-87-6.mol

Synonyms:1-Cyano-N,N-dimethylisoquinoline-2(1H)-carboxamide;102249-87-6;DTXSID50542561;1-cyano-N,N-dimethyl-2(1H)-isoquinolinecarboxamide;1-cyano-N,N-dimethyl-1,2-dihydro-isoquinoline-2-carboxamide

Chemical Property of 1-Cyano-N,N-dimethylisoquinoline-2(1H)-carboxamide

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 227.105862047
• Heavy Atom Count: 17
• Complexity: 379

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)N1C=CC2=CC=CC=C2C1C#N

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