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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight196.20648 [g/mol]
    Molecular FormulaC8H12N4O2
    XLogP-0.7
    H-Bond Donor1
    H-Bond Acceptor6
    Rotatable Bond Count5
    Exact Mass196.096026
    MonoIsotopic Mass196.096026
    Topological Polar Surface Area92.6
    Heavy Atom Count14
    Formal Charge0
    Complexity277
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-(N-dimethylamino-C-(2-hydroxyethoxy)carbonimidoyl)propanedinitrile
    Canonical SMILES: CN(C)N=C(C(C#N)C#N)OCCO
    InChI: InChI=1/C8H12N4O2/c1-12(2)11-8(14-4-3-13)7(5-9)6-10/h7,13H,3-4H2,1-2H3



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