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Also known as: 4-aminocyclohexanol, Cis-4-aminocyclohexanol, 27489-62-9, 6850-65-3, 4-aminocyclohexan-1-ol, 40525-78-8

Molecular Formula

C₆H₁₃NO

Molecular Weight

115.17 g/mol

InChI Key

IMLXLGZJLAOKJN-UHFFFAOYSA-N

FDA UNII

3K079SXM0E

1 2D Structure

Trans-4-Aminocyclohexanol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-aminocyclohexan-1-ol

2.1.2 InChI

InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2

2.1.3 InChI Key

IMLXLGZJLAOKJN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(CCC1N)O

2.2 Other Identifiers

2.2.1 UNII

3K079SXM0E

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (cis)-isomer Of 4-aminocyclohexanol

2. (trans)-isomer Of 4-aminocyclohexanol

3. 4-aminocyclohexanol

4. Hcl(cis)-isomer Of 4-aminocyclohexanol

5. Hcl(trans)-isomer Of 4-aminocyclohexanol

6. Oxalate(cis)-isomer Of 4-aminocyclohexanol

7. Oxalate(trans)-isomer Of 4-aminocyclohexanol

2.3.2 Depositor-Supplied Synonyms

1. 4-aminocyclohexanol

2. Cis-4-aminocyclohexanol

3. 27489-62-9

4. 6850-65-3

5. 4-aminocyclohexan-1-ol

6. 40525-78-8

7. Cis-4-amino-cyclohexanol

8. 4-amino-cyclohexanol

9. 247489-62-9

10. Cyclohexanol, 4-amino-

11. Trans-4-amino-cyclohexanol

12. Trans-4-aminocyclohexan-1-ol

13. Cyclohexanol, 4-amino-, Trans-

14. 4-aminocyclohexanol, Cis-

15. (1r,4r)-4-aminocyclohexan-1-ol

16. Trans-4-hydroxycyclohexylamine

17. (1r,4r)-4-aminocyclohexanol

18. Cyclohexanol, 4-amino-, Cis-

19. 4alpha-aminocyclohexan-1alpha-ol

20. 4-hydroxycyclohexylamine

21. Trans-4-amino Cyclohexanol

22. Cis-4-aminocyclohexan-1-ol

23. 4-aminocyclohexan-1-ol(isomers Mixture)

24. 3k079sxm0e

25. 4-aminocyclohexan-1-ol(only Contains Trans)

26. Mfcd00042624

27. Mfcd09997786

28. D6e7b62984

29. Dna (mouse Strain C57bl/6j Clone 4933405m21 Est (expressed Sequence Tag)) (9ci)

30. Aminocyclohexanol(trans-4)

31. Trans-1-amino-4-cyclohexanol

32. 4

33. A-aminocyclohexan-1

34. A-ol

35. Unii-d6e7b62984

36. Einecs 229-943-8

37. Einecs 248-492-8

38. 4-aminocyclohexanol #

39. 4-hydroxylcyclohexylamine

40. Trans 4-aminocyclohexanol

41. Unii-xd2ltc5na4

42. Xd2ltc5na4

43. Cis-4-(amino)cyclohexanol

44. 4a-aminocyclohexan-1a-ol

45. Ec 248-492-8

46. (trans)-4-aminocyclohexanol

47. Trans-4-(amino)cyclohexanol

48. 4-aminocyclohexanol-[d10]

49. Unii-3k079sxm0e

50. Schembl56680

51. Schembl62727

52. (trans)-4-amino-cyclohexanol

53. Cyclohexanol,4-amino-,trans-

54. Schembl102939

55. Schembl178303

56. Schembl3652024

57. Trans-4-amino-cyclohexan-1-ol

58. Trans-4-hydroxy-cyclohexylamine

59. 4alpha-aminocyclohexan-1beta-ol

60. 4-aminocyclohexanol, Aldrichcpr

61. Imlxlgzjlaokjn-uhfffaoysa-

62. Amy6164

63. Dtxsid70218630

64. Dtxsid001312113

65. Trans-4-amino-1-hydroxycyclohexane

66. 4-aminocyclohexanol, Trans-

67. Act03040

68. Amy35196

69. Zinc4072653

70. (+/-)-(trans)-4-aminocyclohexanol

71. Ab1056

72. Ac-042

73. Mfcd00067698

74. Nsc772497

75. Stl133425

76. (trans)-(4-hydroxy-cyclohexyl)-amine

77. Akos000119472

78. Akos006339853

79. Akos006351265

80. Trans-4-aminocyclohexanol, Aldrichcpr

81. Zinc100002189

82. Zinc100005118

83. Ab02731

84. Cs-w019318

85. Cs-w019841

86. Nsc-772497

87. Ps-5466

88. Sb11010

89. Sb37075

90. Sb38320

91. Methyl4,5-diamino-2-thiophenecarboxylate

92. As-47513

93. Bp-30237

94. Bs-10019

95. Sy016229

96. Sy021212

97. Db-006654

98. Db-031200

99. A1160

100. Am20070555

101. Bb 0261718

102. Cs-0049680

103. Ft-0600517

104. Ft-0638709

105. Ft-0689579

106. Ft-0753032

107. F14021

108. P16830

109. 525a788

110. 850a653

111. A819090

112. A836166

113. J-514424

114. P-toluenesulfonylazideor4-methylbenzenesulfonylazide

115. W-107111

116. Q27257348

117. Q27276167

118. F0001-0886

119. Sz3

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₃NO
Molecular Weight	115.17 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	115.099714038 g/mol
Monoisotopic Mass	115.099714038 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
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	1

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

4-Aminocyclohexanol, cis- is a known human metabolite of ambroxol.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

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