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    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 7,005Xls

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    2D Structure
    Also known as: 6365-83-9, Dinoseb-ammonium [iso], 4,6-dinitro-o-sec-butylphenol ammonium salt, B5tnv5e10b, Azanium 2-butan-2-yl-4,6-dinitrophenolate, Selective
    Molecular Formula
    C10H15N3O5
    Molecular Weight
    257.24  g/mol
    InChI Key
    RVSKHYSPNBOJDL-UHFFFAOYSA-N
    FDA UNII
    B5TNV5E10B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    azanium;2-butan-2-yl-4,6-dinitrophenolate
    2.1.2 InChI
    InChI=1S/C10H12N2O5.H3N/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;/h4-6,13H,3H2,1-2H3;1H3
    2.1.3 InChI Key
    RVSKHYSPNBOJDL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])[O-].[NH4+]
    2.2 Other Identifiers
    2.2.1 UNII
    B5TNV5E10B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,4-dinitro-6-sec-butylphenol

    2. 2-sec-butyl-4,6-dinitrophenol

    3. Dinitrobutylphenol

    4. Dinoseb

    5. Dinoseb Ammonium Salt

    6. Dinoseb Ethanolamine Salt

    7. Dinoseb Sodium Salt

    8. Dinoseb Triethanolamine Salt

    9. Dnbp

    2.3.2 Depositor-Supplied Synonyms

    1. 6365-83-9

    2. Dinoseb-ammonium [iso]

    3. 4,6-dinitro-o-sec-butylphenol Ammonium Salt

    4. B5tnv5e10b

    5. Azanium 2-butan-2-yl-4,6-dinitrophenolate

    6. Selective

    7. Dow Selective

    8. Chemox Selective

    9. Dinoterb-ammonium

    10. Dinoseb (amine)

    11. Sinox W

    12. Dnbp Ammonium Salt

    13. Butophen

    14. Ammonium 2-sec-butyl-4,6-dinitrophenolate

    15. Dinoseb, Ammonium Salt

    16. Einecs 228-858-3

    17. Unii-b5tnv5e10b

    18. Dinoseb Ammonium

    19. 4,6-dinitro-2-sec-butylphenol Ammonium Salt

    20. 2-sec-butyl-4,6-dinitrophenol, Ammonium Salt

    21. 4,6-dinitro-2-sec.butylfenolate Ammony [czech]

    22. Phenol, 2-sec-butyl-4,6-dinitro-, Ammonium Salt

    23. Dinoseb Ammonium Salt

    24. 2-(1-methyl-n-propyl) 4,6-dinitrophenol, Ammonium Salt

    25. 4,6-dinitro-2-sec.butylfenolate Ammony

    26. Phenol, 2-sec-butyl-4,6-dinitro-, Amine Deriv.

    27. Schembl5933971

    28. Dtxsid9058444

    29. Phenol, 2-(1-methylpropyl)-4,6-dinitro-, Ammonium Salt

    30. Dinoseb Ammonium Salt [ii]

    31. Dinoseb Ammonium Salt [mi]

    32. Q27274407

    33. (rs)-dimethylammonium 2-sec-butyl-4,6-dinitrophenolate Ammonium Salt

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 257.24 g/mol
    Molecular Formula C10H15N3O5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass257.10117059 g/mol
    Monoisotopic Mass257.10117059 g/mol
    Topological Polar Surface Area116 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity298
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Insecticides

    Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics. (See all compounds classified as Insecticides.)

    Herbicides

    Pesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE. (See all compounds classified as Herbicides.)

    Pesticides

    Chemicals used to destroy pests of any sort. The concept includes fungicides (FUNGICIDES, INDUSTRIAL); INSECTICIDES; RODENTICIDES; etc. (See all compounds classified as Pesticides.)