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    CAS 27489-62-9

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    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

    2D Structure

    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 Weight 115.17 g/mol
    Molecular Formula C6H13NO
    XLogP3-0.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass115.099714038 g/mol
    Monoisotopic Mass115.099714038 g/mol
    Topological Polar Surface Area46.2 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity66.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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