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Tetradonium Chloride

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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 4574-04-3, N,n,n-trimethyltetradecan-1-aminium chloride, Myristyltrimethylammonium chloride, Trimethyltetradecylammonium chloride, 1-tetradecanaminium, n,n,n-trimethyl-, chloride, N-tetradecyltrimethylammonium chloride

Molecular Formula

C₁₇H₃₈ClN

Molecular Weight

291.9 g/mol

InChI Key

CEYYIKYYFSTQRU-UHFFFAOYSA-M

FDA UNII

RMV7NJU3FX

1 2D Structure

Tetradonium Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

trimethyl(tetradecyl)azanium;chloride

2.1.2 InChI

InChI=1S/C17H38N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1

2.1.3 InChI Key

CEYYIKYYFSTQRU-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]

2.2 Other Identifiers

2.2.1 UNII

RMV7NJU3FX

2.3 Synonyms

2.3.1 MeSH Synonyms

1. C14qac

2. Catrimox-14

3. Myristyl Trimethylammonium Bromide

4. Tdtma Cpd

5. Tetradecyl-trimethylammonium Bromide

6. Tetradecyltrimethylammonium

7. Tetradecyltrimethylammonium Bromide

8. Tetradecyltrimethylammonium Hydroxide

9. Tetradecyltrimethylammonium Iodide

10. Tetradecyltrimethylammonium Mesylate

11. Tetradecyltrimethylammonium Oxalate

12. Trimethyl Tetradecyl Ammonium Bromide

13. Trimethyltetradecylammonium Bromide

14. Ttab Cpd

2.3.2 Depositor-Supplied Synonyms

1. 4574-04-3

2. N,n,n-trimethyltetradecan-1-aminium Chloride

3. Myristyltrimethylammonium Chloride

4. Trimethyltetradecylammonium Chloride

5. 1-tetradecanaminium, N,n,n-trimethyl-, Chloride

6. N-tetradecyltrimethylammonium Chloride

7. Trimethyl-tetradecylammonium Chloride

8. Trimethyl(tetradecyl)azanium;chloride

9. Tetradecyl Trimethyl Ammonium Chloride

10. Tetradonium Chloride

11. Trimethyl(tetradecyl)ammonium Chloride

12. Rmv7nju3fx

13. Ammonium, Trimethyltetradecyl-, Chloride

14. Chembl109747

15. Trimethylmyristylammonium Chloride

16. Trimethyl(tetradecyl)azanium Chloride

17. Nsc-61371

18. 112-01-6

19. Myristyltrimethylammonium Chloriden,n,n-trimethyltetradecan-1-aminium Chloride

20. Einecs 224-958-6

21. Mfcd00059968

22. Nsc 61371

23. Mtac

24. Unii-rmv7nju3fx

25. Dsstox_cid_21289

26. Dsstox_rid_79679

27. Dsstox_gsid_41289

28. Schembl69258

29. Dtxsid9041289

30. Myristyltrimonium Chloride

31. Myristyl Trimethyl Ammonium Chloride

32. Nsc61371

33. Tox21_300908

34. Trimethyl Tetradecyl Ammonium Chloride

35. Trimethyl-tetradecyl-ammonium Chloride

36. Akos015914964

37. Cs-w012185

38. Ds-6421

39. Ncgc00254812-01

40. Cas-4574-04-3

41. Db-050374

42. Ft-0655033

43. T0926

44. 1-tetradecanaminium,n,n-trimethyl-, Chloride

45. (1-tetradecyl)trimethylammonium Chloride, 98%

46. D92418

47. A800465

48. A826886

49. A912742

50. N,n,n-trimethyl-1-tetradecanaminium Chloride

51. W-106115

52. Q27288199

53. Trimethyl-tetradecylammonium Chloride, >=98.0% (at)

54. 1-tetradecanaminium, N,n,n-trimethyl-, Chloride (1:1)

55. Tetradecanaminium, N,n,n-trimethyl-, Chloride (1:1)

56. Trimethyl-tetradecylammonium Chloride, Vetec(tm) Reagent Grade, 97%

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₃₈ClN
Molecular Weight	291.9 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Exact Mass	291.2692779 g/mol
Monoisotopic Mass	291.2692779 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	158
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

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.)

Surface-Active Agents

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics. (See all compounds classified as Surface-Active Agents.)

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