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    tetrabutylazanium nitrate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1941-27-1, Tetra-n-butylammonium nitrate, 1-butanaminium, n,n,n-tributyl-, nitrate, Tetrabutyl-ammonium nitrate, Tetrabutylazanium;nitrate, Tetrabutylazanium nitrate
    Molecular Formula
    C16H36N2O3
    Molecular Weight
    304.47  g/mol
    InChI Key
    QHOKENWFMZXSEU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tetrabutylazanium;nitrate
    2.1.2 InChI
    InChI=1S/C16H36N.NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4/h5-16H2,1-4H3;/q+1;-1
    2.1.3 InChI Key
    QHOKENWFMZXSEU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCC[N+](CCCC)(CCCC)CCCC.[N+](=O)([O-])[O-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Tetra-n-butylammonium Dodecylsulfate

    2. Tetra-n-butylammonium Hexafluorophosphate

    3. Tetrabutylammonium

    4. Tetrabutylammonium Azide

    5. Tetrabutylammonium Bromide

    6. Tetrabutylammonium Chloride

    7. Tetrabutylammonium Cyanide

    8. Tetrabutylammonium Fluoride

    9. Tetrabutylammonium Hydrogen Sulfate

    10. Tetrabutylammonium Hydroxide

    11. Tetrabutylammonium Iodide

    12. Tetrabutylammonium Monophosphate

    13. Tetrabutylammonium Perchlorate

    14. Tetrabutylammonium Sulfate

    15. Tetrabutylammonium Sulfate (1:1), Sodium Salt

    2.2.2 Depositor-Supplied Synonyms

    1. 1941-27-1

    2. Tetra-n-butylammonium Nitrate

    3. 1-butanaminium, N,n,n-tributyl-, Nitrate

    4. Tetrabutyl-ammonium Nitrate

    5. Tetrabutylazanium;nitrate

    6. Tetrabutylazanium Nitrate

    7. Einecs 217-726-0

    8. Ammonium, Tetrabutyl-, Nitrate

    9. Nsc 221165

    10. N-n-n-tributyl-1-butanaminium Nitrate

    11. Tetrabutylazanium,nitrate

    12. Tetrabutyl Ammonium Nitrate

    13. Schembl57347

    14. 1-butanaminium, N,n,n-tributyl-, Nitrate (1:1)

    15. Chembl1078150

    16. Dtxsid8062076

    17. Bis(tetrabutylammonium)mononitrate

    18. Amy22486

    19. Baa94127

    20. Str09673

    21. Ammonium Nitrate, Tetra-(n-butyl)-

    22. Mfcd00043202

    23. Akos015900826

    24. Dihydroxy(oxo)azanium;tetrabutylazanium

    25. Db-044849

    26. Cs-0138869

    27. Ft-0633928

    28. T3651

    29. H12059

    30. A925177

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 304.47 g/mol
    Molecular Formula C16H36N2O3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count12
    Exact Mass304.27259301 g/mol
    Monoisotopic Mass304.27259301 g/mol
    Topological Polar Surface Area62.9 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity135
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Detergents

    Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties. (See all compounds classified as Detergents.)