Cas no 65889-64-7 ( )

  structure
  structure
Product Name: 
CAS No:65889-64-7
MF:C4H3N3O
MW:109.086119890213
CID:962752
PubChem ID:437589
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 2,2-dicyanoacetamide
    • AC1L9409
    • carbamoyldicyanomethanide potassium salt
    • K(carbamoyldicyanomethanide)
    • Kalium-carbamyl-dicyanomethanid
    • NSC522119
    • potassium carbamoyldicyanomethanide
    • potassium carbamyldicyanomethanide
    • potassium salt of 2,2-dicyanoacetamide
    • SCHEMBL5381405
    • NSC-522119
    • 65889-64-7
    • carbamyl-dicyanomethane
    • DS-003468
    • DTXSID00331346
    • AKOS006350885
    • bis-cyanoacetamide
    •  
    • Inchi: 1S/C4H3N3O/c5-1-3(2-6)4(7)8/h3H,(H2,7,8)
    • InChI Key: MUVFZOSESRRBCU-UHFFFAOYSA-N
    • SMILES: O=C(C(C#N)C#N)N

Computed Properties

  • Exact Mass: 109.02769
  • Monoisotopic Mass: 109.027611728g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 174
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1
  • Topological Polar Surface Area: 90.7?2

Experimental Properties

  • PSA: 90.67
  • LogP: -0.16464
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