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    Nitrosamine

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 1,060Xls

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    2D Structure
    Also known as: Nitrosamide, Nitrous amide, 35576-91-1, Lgb75a6poh, Nsc-223080, Nitrosamines
    Molecular Formula
    H2N2O
    Molecular Weight
    46.029  g/mol
    InChI Key
    XKLJHFLUAHKGGU-UHFFFAOYSA-N
    FDA UNII
    LGB75A6POH
    A class of compounds that contain a -NH2 and a -NO radical. Many members of this group have carcinogenic and mutagenic properties.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    nitrous amide
    2.1.2 InChI
    InChI=1S/H2N2O/c1-2-3/h(H2,1,3)
    2.1.3 InChI Key
    XKLJHFLUAHKGGU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    NN=O
    2.2 Other Identifiers
    2.2.1 UNII
    LGB75A6POH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Nitrosamines

    2.3.2 Depositor-Supplied Synonyms

    1. Nitrosamide

    2. Nitrous Amide

    3. 35576-91-1

    4. Lgb75a6poh

    5. Nsc-223080

    6. Nitrosamines

    7. Hydroxydiazene

    8. Ketohydrazine

    9. Hydroxydiimine

    10. Nitsoamide

    11. Diazene-n-oxide

    12. Hydroxydiimide

    13. Nitroxylamide

    14. Nsc 223080

    15. N-nitrosamine

    16. Unii-lgb75a6poh

    17. Nitrosamine-(h2n-n=o)

    18. Dtxsid2074037

    19. Nitrosamine (h2n-n=0)

    20. Nsc223080

    21. Q26841290

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 46.029 g/mol
    Molecular Formula H2N2O
    XLogP3-0.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass46.016712692 g/mol
    Monoisotopic Mass46.016712692 g/mol
    Topological Polar Surface Area55.4 Ų
    Heavy Atom Count3
    Formal Charge0
    Complexity10.3
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1