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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 124-03-8, Cetyldimethylethylammonium bromide, Bretol, Ammonyx dme, Cetethyldimonium bromide, Cetylcide

Molecular Formula

C₂₀H₄₄BrN

Molecular Weight

378.5 g/mol

InChI Key

VUFOSBDICLTFMS-UHFFFAOYSA-M

FDA UNII

7ZNQ7FIO9K

1 2D Structure

Cetyldimethylethylammonium bromide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl-hexadecyl-dimethylazanium;bromide

2.1.2 InChI

InChI=1S/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1

2.1.3 InChI Key

VUFOSBDICLTFMS-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]

2.2 Other Identifiers

2.2.1 UNII

7ZNQ7FIO9K

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cetyldimethylethylammonium

2. Cetyldimethylethylammonium Bromide

2.3.2 Depositor-Supplied Synonyms

1. 124-03-8

2. Cetyldimethylethylammonium Bromide

3. Bretol

4. Ammonyx Dme

5. Cetethyldimonium Bromide

6. Cetylcide

7. Ethyl Cetab

8. Dimethylethylhexadecylammonium Bromide

9. Quaternium-17

10. N-ethyl-n,n-dimethylhexadecan-1-aminium Bromide

11. Cetylethyldimethylammonium Bromide

12. Mecetronium Bromide

13. Radiol Germicidal Solution

14. Cetyl Dimethyl Ethyl Ammonium Bromide

15. Hexadecyldimethylethylammonium Bromide

16. Hexadecylethyldimethylammonium Bromide

17. 1-hexadecanaminium, N-ethyl-n,n-dimethyl-, Bromide

18. Ethyl-hexadecyl-dimethylazanium;bromide

19. 7znq7fio9k

20. N-ethyl-n,n-dimethyl-1-hexadecanaminium Bromide

21. Nsc-8494

22. Ethylhexadecyldimethylammonium (bromide)

23. Quaternium 17

24. Dsstox_cid_21759

25. Dsstox_rid_79837

26. Sumquat 6020

27. Dsstox_gsid_41759

28. Ammonium, Ethylhexadecyldimethyl-, Bromide

29. Caswell No. 165e

30. 1-hexadecanaminium, N-ethyl-n,n-dimethyl-, Bromide (1:1)

31. Mls001335953

32. Cas-124-03-8

33. Ncgc00166120-01

34. Nsc 8494

35. Smr000875346

36. Einecs 204-672-8

37. Unii-7znq7fio9k

38. Mfcd00011774

39. Epa Pesticide Chemical Code 069156

40. Ethyl Hexadecyl Dimethyl Ammonium Bromide

41. Ai3-12210

42. Cdab

43. Alkenyl Dimethyl Ethyl Ammonium Bromide

44. Hexadecyl Dimethyl Ethyl Ammonium Bromide

45. Schembl60918

46. Mls001335954

47. Chembl1375045

48. Dtxsid2041759

49. N-ethyl-n,n-dimethyl-1-hexadecanaminium Bromide (1:1)

50. Nsc8494

51. Cetyl Ethyldimonium Bromide

52. Hms2234l08

53. Hms3372f06

54. Tox21_112326

55. Tox21_302614

56. Cetyl-dimethyl Ethyl Ammonium Bromide

57. Akos015914913

58. Tox21_112326_1

59. Cetethyldimonium Bromide [inci]

60. Hy-w099576

61. Ncgc00166120-02

62. Ncgc00256767-01

63. Bs-14700

64. Ethyl(1-hexadecyl)dimethylammonium Bromide

65. Cs-0152218

66. D0721

67. Ft-0654798

68. Cetyldimethylethylammonium Bromide [mi]

69. Ethylhexadecyldimethylammonium Bromide, 98.5%

70. Ethylhexadecyldimethylammonium Bromide, Bioxtra

71. D70210

72. 1-hexadecanaminium,n-ethyl-n,n-dimethyl-,bromide

73. Cetyldimethylethylammonium Bromide [who-dd]

74. J-005027

75. Wln: 16k2 & 1 & 1 & Q & E

76. Q27269081

77. Ethylhexadecyldimethylammonium Bromide, >=98% (non-aqueous Titration)

78. Ethylhexadecyldimethylammonium Bromide, Vetec(tm) Reagent Grade, >=98%

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₄₄BrN
Molecular Weight	378.5 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	16
Exact Mass	377.26571 g/mol
Monoisotopic Mass	377.26571 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	198
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