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Tox21_300356

Synopsis, Chemistry

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Tox21_300356
Chemistry
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Also known as: 112-00-5, N,n,n-trimethyldodecan-1-aminium chloride, Dodecyl trimethyl ammonium chloride, Alicop, Laurtrimonium chloride, Cation bb

Molecular Formula

C₁₅H₃₄ClN

Molecular Weight

263.89 g/mol

InChI Key

DDXLVDQZPFLQMZ-UHFFFAOYSA-M

FDA UNII

A81MSI0FIC

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dodecyl(trimethyl)azanium;chloride

2.1.2 InChI

InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1

2.1.3 InChI Key

DDXLVDQZPFLQMZ-UHFFFAOYSA-M

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

A81MSI0FIC

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-dodecanaminium, N,n,n-trimethyl-, Bromide

2. Ammonium, Dodecyltrimethyl-, Chloride

3. Ammonium, Dodecyltrimethyl-,bromide

4. C(12)tac

5. C12qac

6. C12tac

7. Dodecyl Trimethyl Ammonium Chloride

8. Dodecyl Trimethylammonium Chloride

9. Dodecyltrimethylammonium

10. Dodecyltrimethylammonium Bromide

11. Dodecyltrimethylammonium Chromate (2:1)

12. Dodecyltrimethylammonium Ethyl Sulfate

13. Dodecyltrimethylammonium Hydroxide

14. Dodecyltrimethylammonium Iodide

15. Dodecyltrimethylammonium Maleate (2:1)

16. Dodecyltrimethylammonium Methyl Sulfate Salt

17. Dodecyltrimethylammonium Perchlorate

18. Dodecyltrimethylammonium Sulfate (2:1)

19. Dodecyltrimethylammonium Sulfide (2:1)

20. Dodecyltrimethylammonium Thiomolybdate Salt Hydrate

21. Dotac Compound

22. Dtmacl Cpd

23. Laurtrimonium

24. Laurtrimonium Bromide

25. Laurtrimonium Chloride

26. Lauryl Trimethyl Ammonium Chloride

27. Lauryltrimethylammonium Bromide

28. Lauryltrimethylammonium Chloride

29. Monolauryltrimethylammonium Chloride

30. N,n,n-trimethyl-1-dodecanaminium Chloride

31. N-dodecyl Triethylammonium Bromide

32. N-dodecyltrimethylammonium

33. N-dodecyltrimethylammonium Chloride

2.3.2 Depositor-Supplied Synonyms

1. 112-00-5

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

3. Dodecyl Trimethyl Ammonium Chloride

4. Alicop

5. Laurtrimonium Chloride

6. Cation Bb

7. Aliquat 4

8. N-dodecyltrimethylammonium Chloride

9. Dtac

10. Lauryltrimethylammonium Chloride

11. Dehyquart Lt

12. Cation Fb

13. Nissan Cation Bb

14. Trimethyllaurylammonium Chloride

15. Arquad 12

16. Arquad 12d

17. 1-dodecanaminium, N,n,n-trimethyl-, Chloride

18. Arquad 12/50

19. Trimethyldodecylammonium Chloride

20. Lauryl Trimethyl Ammonium Chloride

21. Monolauryltrimethylammonium Chloride

22. N,n,n-trimethyl-1-dodecanaminium Chloride

23. Dodecyl(trimethyl)azanium;chloride

24. Mfcd00041974

25. A81msi0fic

26. Ammonium, Dodecyltrimethyl-, Chloride

27. Nsc-6931

28. (1-dodecyl)trimethylammonium Chloride

29. Catiogen L

30. Dsstox_cid_6900

31. Nissan Cation Fb

32. Dsstox_rid_78242

33. Quartamin 24p

34. Quartamin 24w

35. Dsstox_gsid_26900

36. Redicote E 5

37. Rewoquat B 18

38. Radiaquat 6465

39. Catinal Ltc 35a

40. Arquad Mc 50

41. Adogen 412

42. Swanol Ca 2150

43. Arquad 12-37w

44. Arquad 12-23

45. Arquad 12-33

46. Nissan Cation Bb 300

47. Rhodaquat M 242c29

48. Cas-112-00-5

49. Nsc 6931

50. Einecs 203-927-0

51. Unii-a81msi0fic

52. N-dodecyl-n,n,n-trimethylammonium Chloride

53. Dodecyl(trimethyl)azanium Chloride

54. Dodecyl(trimethyl)ammonium Chloride

55. Rewoquat B18

56. Ammonium Dodecyltrimethyl-, Chloride

57. Chemquat 12-50

58. Empigen 5089

59. Ipc-dtma-cl

60. N,n,n-trimethyldodecan-1-aminiumchloride

61. Schembl24854

62. Nikkol Ca-2150

63. Arquad Pc 12-37w

64. Dodecyltrimethylammonium Choride

65. Dodecyltrimethylammonium-chloride

66. Lauryl Trimethylammonium Chloride

67. Chembl1884887

68. Dtxsid1026900

69. Nsc6931

70. Tox21_202101

71. Tox21_300356

72. Laurtrimonium Chloride [inci]

73. N-dodecyl Trimethyl Ammonium Chloride

74. Akos015899054

75. Dodecyl Trimethyl Amm Cl 500ml

76. Ncgc00164250-01

77. Ncgc00254400-01

78. Ncgc00259650-01

79. As-12888

80. 1-dodecanaminium,n,n-trimethyl-, Chloride

81. Db-041027

82. D1016

83. Ft-0631634

84. I0453

85. N-dodecyl-n, N, N-trimethylammonium Chloride

86. D70459

87. A802466

88. Q-201039

89. 1-dodecanaminium, N,n,n-trimethyl-, Chloride (1:1)

90. Q27273748

91. Dodecyltrimethylammonium Chloride 100 Microg/ml In Acetonitrile

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₃₄ClN
Molecular Weight	263.89 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	11
Exact Mass	263.2379778 g/mol
Monoisotopic Mass	263.2379778 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	135
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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