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Benzalkonium Chloride
Also known as: 139-07-1, Benzyldimethyldodecylammonium chloride, N-benzyl-n,n-dimethyldodecan-1-aminium chloride, Cequartyl a, Catigene om, Zephirol
Molecular Formula
C21H38ClN
Molecular Weight
340.0  g/mol
InChI Key
JBIROUFYLSSYDX-UHFFFAOYSA-M
FDA UNII
Y5A751G47H

1 2D Structure

Benzalkonium Chloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzyl-dodecyl-dimethylazanium;chloride
2.1.2 InChI
InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
2.1.3 InChI Key
JBIROUFYLSSYDX-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
2.2 Other Identifiers
2.2.1 UNII
Y5A751G47H
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Adb-12

2. Ajatin

3. Benzododecinium

4. Benzyl Dimethyl Dodecyl Ammonium

5. Benzyldimethyldodecylammonium Bromide

6. Benzyldodecyldimethylammonium Chloride

7. Bzk-c12

8. Dimethyldodecylbenzylammonium

9. Dimethyldodecylbenzylammonium Bromide

10. Dimethyldodecylbenzylammonium Chloride

11. Dimethyldodecylbenzylammonium Maleate (2:1)

12. Dimethyldodecylbenzylammonium Nitrate

13. Dodecyldimethylbenzylammonium Chloride

14. Sterinol

2.3.2 Depositor-Supplied Synonyms

1. 139-07-1

2. Benzyldimethyldodecylammonium Chloride

3. N-benzyl-n,n-dimethyldodecan-1-aminium Chloride

4. Cequartyl A

5. Catigene Om

6. Zephirol

7. Benzyldodecyldimethylammonium Chloride

8. Catiogen Pan

9. Dodecyl Dimethyl Benzyl Ammonium Chloride

10. Rolcril

11. Catinal Cb 50

12. Dehyquart Ldb

13. Vantoc Cl

14. Benzododecinii Chloridum

15. Catiolite Bc 50

16. Dodecyldimethylbenzylammonium Chloride

17. Noramium Da 50

18. Triton K60

19. Lauryldimethylbenzylammonium Chloride

20. Amoryl Br 1244

21. Cloruro De Benzododecinio

22. Laurylbenzalkonium Chloride

23. Chlorure De Benzododecinium

24. Benzyldimethyllaurylammonium Chloride

25. Dimethylbenzyllaurylammonium Chloride

26. Laurylbenzyldimethylammonium Chloride

27. Bas 2631

28. Dimethylbenzyldodecylammonium Chloride

29. Dimethyldodecylbenzylammonium Chloride

30. Dodecylbenzyldimethylammonium Chloride

31. N-lauryldimethylbenzylammonium Chloride

32. Benzododecinium Chloride [inn]

33. N-dodecyl-n,n-dimethylbenzenemethanaminium Chloride

34. Nsc 85508

35. Nsc-85508

36. Benzenemethanaminium, N-dodecyl-n,n-dimethyl-, Chloride

37. N-dodecyldimethylbenzylammonium Chloride

38. Dodecyldimethylbenzylammonium Chloride (acn)

39. Alkyldimethylbenzylammonium Chloride

40. Benzododecinium (chloride)

41. N-benzyl-n-dodecyl-n,n-dimethylammonium Chloride

42. N-dodecyl-n,n-dimethyl-n-benzylammonium Chloride

43. Benzyl-dodecyl-dimethylazanium;chloride

44. N,n-dimethyl-n-dodecylbenzenemethanaminium Chloride

45. Lauryl Dimethyl Benzyl Ammonium Chloride

46. Lauryl Benzalkonium (chloride)

47. Y5a751g47h

48. Nsc85508

49. Retarder N

50. Orthosan Hm

51. Benzyldimethyl-n-dodecylammonium Chloride

52. Dsstox_cid_14317

53. Loraquat B 50

54. Rewoquat B 50

55. Tetranil Bc 80

56. Texnol R 5

57. Benzododecinium Chloride (inn)

58. Caswell No. 073a

59. Caswell No. 416c

60. Swanol Ca 100

61. Swanol Ca 101

62. Dimethylaurylbenzylammonium Chloride; Dimethylbenzyldodecylammonium Chloride; Dimethylbenzyllaurylammonium Chloride

63. Benzododecinio Cloruro [dcit]

64. Benzododecinio Cloruro

65. Ammonium, Benzyldodecyldimethyl-, Chloride

66. Dyk 1125

67. Qba 1211

68. Einecs 205-351-5

69. Benzododecinii Chloridum [inn-latin]

70. Benzyl-lauryldimethylammonium Chloride

71. Epa Pesticide Chemical Code 069124

72. Dodecyl-dimethyl-benzylammonium Chloride

73. Cloruro De Benzododecinio [inn-spanish]

74. Euchlorine

75. Chlorure De Benzododecinium [inn-french]

76. Tetranil

77. Swanol

78. Ammonium, Benzyldimethyldodecyl-, Chloride

79. Unii-y5a751g47h

80. 2-phenylburyricacid

81. D-dodecyl-n,n-dimethylbenzenemethanaminium Chloride

82. Mfcd00137276

83. Benzyl-dodecyl-dimethylazanium Chloride

84. Schembl914

85. N-dodecyl-n-benzyl-n,n-dimethylammonium Chloride

86. Dsstox_rid_79142

87. Dsstox_rid_79599

88. Dsstox_gsid_34317

89. Dsstox_gsid_40787

90. Benzenemethanaminium, N,n-dimethyl-n-dodecyl-, Chloride

91. Chembl1885899

92. Dtxsid2040787

93. Dtxsid6028492

94. Nsc-85508lauralkonium Chloride

95. Chebi:167208

96. Lauryldimethylbenzoammonium Chloride

97. Benzyllauryldimethylammonium Chloride

98. Hy-b1549

99. Tox21_301369

100. Tox21_302065

101. Dodecyldimethylbenzyl Ammonium Chloride

102. Akos015902768

103. Benzyl-dodecyl-dimethylammonium Chloride

104. Sc10035

105. Benzododecinium Chloride [mart.]

106. Benzododecinium Chloride [who-dd]

107. Ncgc00164245-01

108. Ncgc00255209-01

109. Ncgc00255472-01

110. Bs-15004

111. Cas-139-07-1

112. Cas-8001-54-5

113. Db-029696

114. C12-16-alkylbenzyldimethylammonium Chlorides

115. Cs-0013412

116. Ft-0602836

117. D07210

118. H11039

119. N-benzyl-n,n-dimethyldodecan-1-aminiumchloride

120. N-tetradecyl Dimethyl Ethylbenzyl Ammonium Chloride

121. Q408727

122. W-108223

123. Benzenemethanaminium,n-dodecyl-n,n-dimethyl-,chloride

124. Benzenemethanaminium, N-dodecyl-n,n-dimethyl-, Chloride (1:1)

125. Benzyldimethyldodecylammonium Chloride 1000 Microg/ml In Acetonitrile

2.3.3 Other Synonyms

1. Benzalkonium Chloride

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 340.0 g/mol
Molecular Formula C21H38ClN
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Exact Mass339.2692779 g/mol
Monoisotopic Mass339.2692779 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count23
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Disinfectants

Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed) (See all compounds classified as Disinfectants.)


Anti-Infective Agents, Local

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)


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