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    Chemistry

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    Also known as: 101-83-7, N-cyclohexylcyclohexanamine, Cyclohexanamine, n-cyclohexyl-, Dcha, N,n-dicyclohexylamine, Dicha
    Molecular Formula
    C12H23N
    Molecular Weight
    181.32  g/mol
    InChI Key
    XBPCUCUWBYBCDP-UHFFFAOYSA-N
    FDA UNII
    1A93RJW924
    Dicyclohexylamine
    dicha is a natural product found in Hordeum vulgare with data available.
    1 2D Structure

    Dicyclohexylamine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-cyclohexylcyclohexanamine
    2.1.2 InChI
    InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
    2.1.3 InChI Key
    XBPCUCUWBYBCDP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(CC1)NC2CCCCC2
    2.2 Other Identifiers
    2.2.1 UNII
    1A93RJW924
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cyclohexanamine, N-cyclohexyl-, Sulfate (1:1)

    2. Dicyclohexylamine Hydrochloride

    3. Dicyclohexylamine Nitrate

    4. Dicyclohexylamine Nitrite

    5. Dicyclohexylamine Phosphate (3:1)

    6. Dicyclohexylamine Sulfate

    7. Dicyclohexylamine Sulfate (1:1)

    8. Dicyclohexylammonium

    2.3.2 Depositor-Supplied Synonyms

    1. 101-83-7

    2. N-cyclohexylcyclohexanamine

    3. Cyclohexanamine, N-cyclohexyl-

    4. Dcha

    5. N,n-dicyclohexylamine

    6. Dicha

    7. Dodecahydrodiphenylamine

    8. Dicyklohexylamin

    9. N,n-diclohexylamine

    10. N-cyclohexyl-cyclohexylamine

    11. Dicyklohexylamin [czech]

    12. Nsc 3399

    13. Ccris 6228

    14. Hsdb 4018

    15. Einecs 202-980-7

    16. Un2565

    17. Unii-1a93rjw924

    18. Brn 0605923

    19. Mls002174250

    20. Chebi:34694

    21. Ai3-15334

    22. 1a93rjw924

    23. Dsstox_cid_5018

    24. Dsstox_rid_77630

    25. Dsstox_gsid_25018

    26. Ncgc00090955-03

    27. Smr001224510

    28. Dch

    29. Nsc-3399

    30. Cas-101-83-7

    31. Dicydohexylamine

    32. Dicylohexylamine

    33. Dicylcohexylamine

    34. Aminodicyclohexane

    35. Di-cyclohexylamine

    36. Dicyclohexyl-amine

    37. Dicyclohexyl Amine

    38. Bis-cyclohexylamine

    39. Bis(cyclohexyl)amine

    40. Cy2nh

    41. Cyclohexylcyclohexanamine

    42. Dicyclohexylamine, 99%

    43. Ac-

    44. A-ala-oh.dcha

    45. Dicyclohexylamine, 99+%

    46. Schembl500

    47. Ec 202-980-7

    48. Cid_7582

    49. Nciopen2_002862

    50. Oprea1_024913

    51. N,n-dicyclohxyl-amine

    52. 4-12-00-00022 (beilstein Handbook Reference)

    53. Mls002152900

    54. Bidd:er0258

    55. Dicyclohexylamine [mi]

    56. Wln: L6tj Am-al6tj

    57. Dicyclohexylamine [hsdb]

    58. Chembl1451838

    59. Dtxsid6025018

    60. Bdbm74256

    61. Nsc3399

    62. Hms3741i15

    63. Zinc982093

    64. Str04129

    65. Tox21_111044

    66. Tox21_201771

    67. Tox21_303097

    68. Bbl002970

    69. Mfcd00011658

    70. Stk379549

    71. Dicyclohexylamine, Analytical Standard

    72. Akos000119059

    73. Tox21_111044_1

    74. Un 2565

    75. Ncgc00090955-01

    76. Ncgc00090955-02

    77. Ncgc00090955-04

    78. Ncgc00090955-05

    79. Ncgc00090955-06

    80. Ncgc00257081-01

    81. Ncgc00259320-01

    82. Dicyclohexylamine Dodecahydro Diphenylamine

    83. Dicyclohexylamine [un2565] [corrosive]

    84. Ds-002441

    85. Ds-002442

    86. D0435

    87. Ft-0624742

    88. A11830

    89. Ag-617/02036022

    90. Q425368

    91. J-000503

    92. F2190-0312

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 181.32 g/mol
    Molecular Formula C12H23N
    XLogP33.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass181.183049738 g/mol
    Monoisotopic Mass181.183049738 g/mol
    Topological Polar Surface Area12 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity116
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Minimum/Potential Fatal Human Dose

    4. 4= VERY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 50-500 MG/KG, BETWEEN 1 TEASPOON & 1 OZ FOR 70 KG PERSON (150 LB).

    Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-139

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    5.2 Absorption, Distribution and Excretion

    THIRTY-FIVE TO FORTY PER CENT OF SODIUM SALT OF CYCLOHEXAMIC ACID IS ELIMINATED THROUGH KIDNEYS.

    PMID:5129945 GOETTINGER E; WIEN MED WOCHENSCHR 121 (25-26): 515-516 (1971)

    5.3 Metabolism/Metabolites

    UP TO 40% IS CHANGED INTO CYCLOHEXAMINE IN HUMANS & TO LESSER EXTENT INTO DICYCLOHEXAMINE.

    PMID:5129945 GOETTINGER E; WIEN MED WOCHENSCHR 121 (25-26): 515-516 (1971)

    API Reference Price

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    04-Jan-2021
    28-Oct-2024
    KGS
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