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  • N-Nitrosomethyloctylamine ,Nitrosomethyl-n-octylamine,N-Methyl-N-nitro
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    N-Nitrosomethyloctylamine
    Nitrosomethyl-n-octylamine
    N-Methyl-N-nitrosooctylamine
    Nitroso-N-methyl-n-octylamine
    CCRIS 1368
    1-Octanamine, N-methyl-N-nitroso-
    N-Methyl-N-nitroso-1-octanamine
    1-Octylamine, N-methyl-N-nitroso-
    OCTYLAMINE, N-METHYL-N-NITROSO-
    BRN 4372422

    [Structure]
    N-Nitrosomethyloctylamine ,Nitrosomethyl-n-octylamine,N-Methyl-N-nitro

    [ Properties Computed from Structure]
    Molecular Weight172.2679 [g/mol]
    Molecular FormulaC9H20N2O
    XLogP3.4
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count7
    Exact Mass172.157563
    MonoIsotopic Mass172.157563
    Topological Polar Surface Area32.7
    Heavy Atom Count12
    Formal Charge0
    Complexity107
    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-methyl-N-octylnitrous amide
    Canonical SMILES: CCCCCCCCN(C)N=O
    InChI: InChI=1/C9H20N2O/c1-3-4-5-6-7-8-9-11(2)10-12/h3-9H2,1-2H3

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