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    Trimethylphenylammonium bromide

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 16056-11-4, Phenyltrimethylammonium bromide, N,n,n-trimethylbenzenaminium bromide, Benzenaminium, n,n,n-trimethyl-, bromide, N,n,n-trimethylanilinium bromide, Trimethyl(phenyl)azanium;bromide
    Molecular Formula
    C9H14BrN
    Molecular Weight
    216.12  g/mol
    InChI Key
    GNMJFQWRASXXMS-UHFFFAOYSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    trimethyl(phenyl)azanium;bromide
    2.1.2 InChI
    InChI=1S/C9H14N.BrH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
    2.1.3 InChI Key
    GNMJFQWRASXXMS-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C[N+](C)(C)C1=CC=CC=C1.[Br-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Hydroxide Of Phenyltrimethylammonium

    2. Iodide Of Phenyltrimethylammonium

    3. Phenyltrimethylammonium

    4. Phenyltrimethylammonium Acetate

    5. Phenyltrimethylammonium Benzenesulfonate

    6. Phenyltrimethylammonium Bromide

    7. Phenyltrimethylammonium Chloride

    8. Phenyltrimethylammonium Tosylate

    9. Phenyltrimethylammonium Tribromide

    10. Phenyltrimethylammonium, Tri(methyl-3(2)h)-labeled Cpd

    11. Trimethyl-d9-anilinium Hydroxide

    12. Trimethylanilinium

    13. Trimethylanilinium Iodide

    14. Trimethylphenylammonium Hydroxide

    15. Trimethylphenylammonium Iodide

    16. X-tractelute

    2.2.2 Depositor-Supplied Synonyms

    1. 16056-11-4

    2. Phenyltrimethylammonium Bromide

    3. N,n,n-trimethylbenzenaminium Bromide

    4. Benzenaminium, N,n,n-trimethyl-, Bromide

    5. N,n,n-trimethylanilinium Bromide

    6. Trimethyl(phenyl)azanium;bromide

    7. Phenyl Trimethyl Ammonium Bromide

    8. Benzenaminium, N,n,n-trimethyl-, Bromide (1:1)

    9. (n,n,n)-trimethylanilinium Bromide

    10. N-phenyl-n,n,n-trimethylammonium Bromide

    11. Ammonium, Phenyltrimethyl-, Bromide

    12. Einecs 240-202-8

    13. Ro 2-2979

    14. Ammonium Trimethylphenyl-, Bromide

    15. Schembl238552

    16. Trimethyl(phenyl)ammonium Bromide

    17. Dtxsid60884868

    18. Phnyltrimethylammonium Bromide

    19. Mfcd00011788

    20. Akos015833051

    21. Cs-w013166

    22. As-66945

    23. Db-050352

    24. Ft-0656340

    25. P0243

    26. D77743

    27. A810149

    28. Q63393463

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 216.12 g/mol
    Molecular Formula C9H14BrN
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass215.03096 g/mol
    Monoisotopic Mass215.03096 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity95.8
    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

    Indicators and Reagents

    Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)