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    Chemistry

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    Also known as: 61445-55-4, 4-[methyl(nitroso)amino]butanoic acid, N-methyl-n-(3-carboxypropyl)nitrosamine, Nitrosomethyl-3-carboxypropylamine, 4-(n-nitroso-n-methylamino)butyric acid, 4-(methylnitrosoamino)butanoic acid
    Molecular Formula
    C5H10N2O3
    Molecular Weight
    146.14  g/mol
    InChI Key
    SJLBIPLIGYWGJV-UHFFFAOYSA-N
    FDA UNII
    7K7252TZ54
    N-Nitroso-N-Methyl-4-Aminobutyric Acid
    1 2D Structure

    N-Nitroso-N-Methyl-4-Aminobutyric Acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[methyl(nitroso)amino]butanoic acid
    2.1.2 InChI
    InChI=1S/C5H10N2O3/c1-7(6-10)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)
    2.1.3 InChI Key
    SJLBIPLIGYWGJV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(CCCC(=O)O)N=O
    2.2 Other Identifiers
    2.2.1 UNII
    7K7252TZ54
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-(n-nitroso-n-methylamino)butyric Acid

    2. Nitrosomethyl-3-carboxypropylamine

    3. Nnmab

    2.3.2 Depositor-Supplied Synonyms

    1. 61445-55-4

    2. 4-[methyl(nitroso)amino]butanoic Acid

    3. N-methyl-n-(3-carboxypropyl)nitrosamine

    4. Nitrosomethyl-3-carboxypropylamine

    5. 4-(n-nitroso-n-methylamino)butyric Acid

    6. 4-(methylnitrosoamino)butanoic Acid

    7. N-nitrosomethyl-3-carboxypropylamine

    8. 7k7252tz54

    9. Ccris 1123

    10. 4-(methyl(nitroso)amino)butanoic Acid

    11. Brn 2245230

    12. N-nitroso-n-methyl-4-aminobutyricacid

    13. Butanoic Acid,4-(methylnitrosoamino)-

    14. Butyric Acid, 4-(methylnitrosoamino)-

    15. N-nitrosomethylaminobutyric Acid

    16. Dtxsid7040239

    17. Schembl19463993

    18. Unii-7k7252tz54

    19. 4-(methylnitrosamino)butyric Acid

    20. Chebi:176579

    21. Nitroso-methyl-3-carboxypropylamine

    22. Amy30252

    23. Zinc5698935

    24. Mfcd00869939

    25. Akos006273157

    26. As-63516

    27. Nmba (losartan Potassium Impurity)

    28. Ft-0672964

    29. Ft-0672965

    30. D93527

    31. N-nitrosomethylaminobutyric Acid [usp-rs]

    32. A937116

    33. Methyl-n-(3-carboxypropyl)nitrosamine, N-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 146.14 g/mol
    Molecular Formula C5H10N2O3
    XLogP30
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass146.06914219 g/mol
    Monoisotopic Mass146.06914219 g/mol
    Topological Polar Surface Area70 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity126
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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