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  • Repellent 3535 ,BAAPE,EBAAP ,Merck 3535,Insect repellent merck 3535 ,E
  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]
    Repellent 3535
    BAAPE
    EBAAP
    Merck 3535
    Insect repellent merck 3535
    Ethyl butylacetylaminopropionate
    EINECS 257-835-0
    Ethyl N-acetyl-N-butyl-beta-alaninate
    IR 3535
    N-Acetyl-N-butyl-beta-alanine, ethyl ester

    [Structure]
    Repellent 3535 ,BAAPE,EBAAP ,Merck 3535,Insect repellent merck 3535 ,E

    [ Properties Computed from Structure]
    Molecular Weight215.28934 [g/mol]
    Molecular FormulaC11H21NO3
    XLogP1.5
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count8
    Exact Mass215.152144
    MonoIsotopic Mass215.152144
    Topological Polar Surface Area46.6
    Heavy Atom Count15
    Formal Charge0
    Complexity204
    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: ethyl 3-(acetyl-butylamino)propanoate
    Canonical SMILES: CCCCN(CCC(=O)OCC)C(=O)C
    InChI: InChI=1/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3

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