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  • [Synonyms]
    CCRIS 6652
    BRN 0400798
    delta-(Methylnitrosoamino)-3-pyridinebutanol
    3-Pyridinebutanol, delta-(methylnitrosoamino)-
    4-(Methylnitrosamino)-4-(3-pyridyl)-1-butanol
    LS-130320
    4-(Methylnitrosoamino)-4-(3-pyridyl)-1-butanol
    5-22-14-00730 (Beilstein Handbook Reference)
    59578-66-4

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight209.245 [g/mol]
    Molecular FormulaC10H15N3O2
    XLogP0.3
    H-Bond Donor1
    H-Bond Acceptor5
    Rotatable Bond Count5
    Exact Mass209.116427
    MonoIsotopic Mass209.116427
    Topological Polar Surface Area65.8
    Heavy Atom Count15
    Formal Charge0
    Complexity190
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide
    Canonical SMILES: CN(C(CCCO)C1=CN=CC=C1)N=O
    InChI: InChI=1/C10H15N3O2/c1-13(12-15)10(5-3-7-14)9-4-2-6-11-8-9/h2,4,6,8,10,
    14H,3,5,7H2,1H3



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