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  • [Synonyms]
    NSC515355
    52388-53-1

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight237.29816 [g/mol]
    Molecular FormulaC12H19N3O2
    XLogP1.8
    H-Bond Donor0
    H-Bond Acceptor5
    Rotatable Bond Count6
    Exact Mass237.147727
    MonoIsotopic Mass237.147727
    Topological Polar Surface Area46.4
    Heavy Atom Count17
    Formal Charge0
    Complexity234
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-(2,5-diethoxyphenyl)diazenyl-N-methylmethanamine
    Canonical SMILES: CCOC1=CC(=C(C=C1)OCC)N=NN(C)C
    InChI: InChI=1/C12H19N3O2/c1-5-16-10-7-8-12(17-6-2)11(9-10)13-14-15(3)4/h7-9H,
    5-6H2,1-4H3/b14-13+



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