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Trimethylphenylammonium Bromide

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Chemistry

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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

Trimethylphenylammonium bromide

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 Formula	C₉H₁₄BrN
Molecular Weight	216.12 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	215.03096 g/mol
Monoisotopic Mass	215.03096 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	95.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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.)

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