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Tetrabutylammonium Bromide

Synopsis, Chemistry

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Also known as: 1643-19-2, Tetra-n-butylammonium bromide, Tetrabutyl ammonium bromide, Tetrabutyl-ammonium bromide, Tbab, Tetrabutylammoniumbromide

Molecular Formula

C₁₆H₃₆BrN

Molecular Weight

322.37 g/mol

InChI Key

JRMUNVKIHCOMHV-UHFFFAOYSA-M

FDA UNII

VJZ168I98R

1 2D Structure

Tetrabutylammonium Bromide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tetrabutylazanium;bromide

2.1.2 InChI

InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1

2.1.3 InChI Key

JRMUNVKIHCOMHV-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCC[N+](CCCC)(CCCC)CCCC.[Br-]

2.2 Other Identifiers

2.2.1 UNII

VJZ168I98R

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Tetra-n-butylammonium Dodecylsulfate

2. Tetra-n-butylammonium Hexafluorophosphate

3. Tetrabutylammonium

4. Tetrabutylammonium Azide

5. Tetrabutylammonium Chloride

6. Tetrabutylammonium Cyanide

7. Tetrabutylammonium Fluoride

8. Tetrabutylammonium Hydrogen Sulfate

9. Tetrabutylammonium Hydroxide

10. Tetrabutylammonium Iodide

11. Tetrabutylammonium Monophosphate

12. Tetrabutylammonium Nitrate

13. Tetrabutylammonium Perchlorate

14. Tetrabutylammonium Sulfate

15. Tetrabutylammonium Sulfate (1:1), Sodium Salt

2.3.2 Depositor-Supplied Synonyms

1. 1643-19-2

2. Tetra-n-butylammonium Bromide

3. Tetrabutyl Ammonium Bromide

4. Tetrabutyl-ammonium Bromide

5. Tbab

6. Tetrabutylammoniumbromide

7. Tetrabutylazanium Bromide

8. N,n,n-tributyl-1-butanaminium Bromide

9. N,n,n-tributylbutan-1-aminium Bromide

10. 1-butanaminium, N,n,n-tributyl-, Bromide (1:1)

11. Tetra-n-butyl Ammonium Bromide

12. 1-butanaminium, N,n,n-tributyl-, Bromide

13. Vjz168i98r

14. Chebi:51993

15. Mfcd00011633

16. Aliquat 100

17. Tbabr

18. Ipc-tba-br

19. Tetrabutylammomium Bromide

20. Unii-vjz168i98r

21. Nbu4nbr

22. Einecs 216-699-2

23. Bu4nbr

24. N-bu4nbr

25. (nbu)4nbr

26. Tetrabutyammonium Bromide

27. Tetrabutylamonium Bromide

28. (n-bu)4nbr

29. Tetrabuylammonium Bromide

30. Bromide Tetrabutylammonium

31. Tetrabutyl-ammoniumbromide

32. Tetrabuthylammonium Bromide

33. Tetra-butylammonium Bromide

34. Ec 216-699-2

35. Tetra-n-butylammoniumbromide

36. Tetran-butylammonium Bromide

37. Schembl1891

38. Tetra Butyl Ammonium Bromide

39. Tetra-butyl Ammonium Bromide

40. (n-c4h9)4nbr

41. Tetra Butyl Amonium Bromide

42. Dsstox_cid_24400

43. Dsstox_rid_80201

44. Dsstox_gsid_44400

45. Tetra N-butylammonium Bromide

46. Tetra-n-butyl-ammoniumbromide

47. Tetran- Butylammonium Bromide

48. Tbab Sumquat 6065

49. Chembl60696

50. Tetra N-butyl Ammonium Bromide

51. Tetra(n-butyl)ammonium Bromide

52. Tetra-n-butyl-ammonium Bromide

53. Tetra(n-butyl) Ammonium Bromide

54. Tetra(n-butyl)-ammonium Bromide

55. Dtxsid4044400

56. Tetrabutylammonium Bromide(tbab)

57. Tetra (n-butyl) Ammonium Bromide

58. N,n,n,n-tetrabutylammoniumbromide

59. N,n,n,n-tetrabutylammonium Bromide

60. Tetra-normal-butyl Ammonium Bromide

61. Bcp24453

62. Str00258

63. Tox21_302149

64. Br1208

65. Akos015899557

66. Jc10007

67. Ncgc00255885-01

68. Bp-31079

69. Tetrabutyl Ammonium Bromide [inci]

70. Cas-1643-19-2

71. Db-004100

72. Tetrabutylammonium Bromide Acs Reagent Grade

73. Cs-0010099

74. Ft-0633729

75. I0365

76. T0054

77. D72482

78. A810553

79. Q-101945

80. Q6296780

81. F0001-0598

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₃₆BrN
Molecular Weight	322.37 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	12
Exact Mass	321.20311 g/mol
Monoisotopic Mass	321.20311 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	116
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.)