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N,N,N-Trimethylanilinium Chloride

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Chemistry

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Also known as: 138-24-9, N,n,n-trimethylbenzenaminium chloride, Trimethylphenylammonium chloride, N,n,n-trimethylanilinium chloride, Ammonyx 200, Benzenaminium, n,n,n-trimethyl-, chloride

Molecular Formula

C₉H₁₄ClN

Molecular Weight

171.67 g/mol

InChI Key

MQAYPFVXSPHGJM-UHFFFAOYSA-M

FDA UNII

1886BWR70S

1 2D Structure

N,N,N-Trimethylanilinium Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

trimethyl(phenyl)azanium;chloride

2.1.2 InChI

InChI=1S/C9H14N.ClH/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

MQAYPFVXSPHGJM-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C[N+](C)(C)C1=CC=CC=C1.[Cl-]

2.2 Other Identifiers

2.2.1 UNII

1886BWR70S

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Hydroxide Of Phenyltrimethylammonium

2. Iodide Of Phenyltrimethylammonium

3. Phenyltrimethylammonium

4. Phenyltrimethylammonium Acetate

5. Phenyltrimethylammonium Benzenesulfonate

6. Phenyltrimethylammonium Bromide

7. Phenyltrimethylammonium Tosylate

8. Phenyltrimethylammonium Tribromide

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

10. Trimethyl-d9-anilinium Hydroxide

11. Trimethylanilinium

12. Trimethylanilinium Iodide

13. Trimethylphenylammonium Hydroxide

14. Trimethylphenylammonium Iodide

15. X-tractelute

2.3.2 Depositor-Supplied Synonyms

1. 138-24-9

2. N,n,n-trimethylbenzenaminium Chloride

3. Trimethylphenylammonium Chloride

4. N,n,n-trimethylanilinium Chloride

5. Ammonyx 200

6. Benzenaminium, N,n,n-trimethyl-, Chloride

7. Trimethylphenylammoniumchloride

8. Trimethylanilinium Chloride

9. Benzenaminium, N,n,n-trimethyl-, Chloride (1:1)

10. Trimethyl(phenyl)azanium;chloride

11. Chembl1209421

12. 1886bwr70s

13. (n,n,n)-trimethylanilinium Chloride

14. N,n,n-trimethylbenzenaminium

15. Ammonium, Phenyltrimethyl-, Chloride

16. Trimethylphenyl Ammonium Chloride

17. Ammonium, Trimethylphenyl-, Chloride

18. Einecs 205-319-0

19. Ai3-52692

20. Trimethyl(phenyl)ammonium Chloride

21. N,n,n-trimethylbenzenaminiumchloride

22. Mfcd00011790

23. Ec 205-319-0

24. Schembl237898

25. Unii-1886bwr70s

26. Phenyltrimethyl Ammonium Chloride

27. Trimethylphenyl-ammonium Chloride

28. Dtxsid6051699

29. Phenyl Trimethyl Ammonium Chloride

30. Akos015890667

31. Cs-w017639

32. Trimethylphenylammonium Chloride, >=98%

33. Cs-17376

34. Db-050417

35. Ft-0652148

36. P0244

37. D77813

38. A807358

39. J-007109

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₄ClN
Molecular Weight	171.67 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	171.0814771 g/mol
Monoisotopic Mass	171.0814771 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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