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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

Trimethylphenylammonium bromide
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 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.)


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