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    20439-47-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 20439-47-8, (1r,2r)-cyclohexane-1,2-diamine, 1121-22-8, Trans-1,2-diaminocyclohexane, Trans-1,2-cyclohexanediamine, Trans-cyclohexane-1,2-diamine
    Molecular Formula
    C6H14N2
    Molecular Weight
    114.19  g/mol
    InChI Key
    SSJXIUAHEKJCMH-PHDIDXHHSA-N
    FDA UNII
    88RM10ID0P
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2R)-cyclohexane-1,2-diamine
    2.1.2 InChI
    InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1
    2.1.3 InChI Key
    SSJXIUAHEKJCMH-PHDIDXHHSA-N
    2.1.4 Canonical SMILES
    C1CCC(C(C1)N)N
    2.1.5 Isomeric SMILES
    C1CC[C@H]([C@@H](C1)N)N
    2.2 Other Identifiers
    2.2.1 UNII
    88RM10ID0P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,2-cyclohexanediamine

    2. 1,2-cyclohexanediamine, (1r,2r)-

    3. 1,2-cyclohexanediamine, (1r-trans)-

    4. 1,2-cyclohexanediamine, (1s,2s)-

    5. 1,2-cyclohexanediamine, (1s-trans)-

    6. 1,2-cyclohexanediamine, (cis)-isomer

    7. 1,2-cyclohexanediamine, (trans)-(r)-isomer

    8. 1,2-cyclohexanediamine, (trans)-(s)-isomer

    9. 1,2-cyclohexanediamine, (trans)-isomer

    10. 1,2-dach

    11. 1,2-diaminocyclohexane

    12. 1,2-diaminocyclohexane, (+)-

    13. 1,2-diaminocyclohexane, (-)-

    14. 1,2-diaminocyclohexane, Cis-

    15. 1,2-diaminocyclohexane, Trans-

    16. Cyclohexane-1,2-diamine

    17. Dach

    18. Meso-1,2-diaminocyclohexane

    19. Trans-1,2-cyclohexanediamine

    20. Trans-1,2-diaminocyclohexane

    2.3.2 Depositor-Supplied Synonyms

    1. 20439-47-8

    2. (1r,2r)-cyclohexane-1,2-diamine

    3. 1121-22-8

    4. Trans-1,2-diaminocyclohexane

    5. Trans-1,2-cyclohexanediamine

    6. Trans-cyclohexane-1,2-diamine

    7. (+/-)-trans-1,2-diaminocyclohexane

    8. (1r,2r)-(-)-1,2-cyclohexanediamine

    9. (1r,2r)-1,2-diaminocyclohexane

    10. 1,2-cyclohexanediamine, (1r,2r)-rel-

    11. 1,2-cyclohexanediamine, (1r,2r)-

    12. 1r,2r-diaminocyclohexane

    13. (-)-trans-1,2-diaminocyclohexane

    14. (-)-(1r,2r)-1,2-cyclohexanediamine

    15. 1,2-diaminocyclohexane, Trans-

    16. (+/-)-trans-1,2-cyclohexanediamine

    17. 1,2-cyclohexanediamine, (1r-trans)-

    18. 37ekl250ee

    19. 88rm10id0p

    20. (-)-r,r-1,2-diaminocyclohexane

    21. (1r,2r)-(-)-diaminocyclohexane

    22. (1r)-trans-1,2-diaminocyclohexane

    23. Dnh

    24. Mfcd00062985

    25. 1,2-cyclohexanediamine #

    26. 1,2-diaminocyclohexane, (-)-

    27. (r,r)-dach

    28. Trans-1,2-cyclohexaneiamine

    29. (1r,2r)-1,2-cyclohexanediamine

    30. (1r,2r)-diaminocyclohexane

    31. Unii-37ekl250ee

    32. Unii-88rm10id0p

    33. Rac-(1r,2r)-cyclohexane-1,2-diamine

    34. (1s)-(+)-trans-1,2-diaminocyclohexane

    35. Trans-cyclohexane-1

    36. 1,2-transdiaminocyclohexane

    37. Trans-1,2diaminocyclohexane

    38. Schembl73951

    39. 1,2-trans-cyclohexanediamine

    40. 1,2-trans-diaminocyclohexane

    41. Trans 1,2-diaminocyclohexane

    42. Trans-1,2 Diaminocyclohexane

    43. (1r,2r)-cyclohexane Diamine

    44. Trans-1,2-cyclohexane Diamine

    45. Trans-1,2-diami-nocyclohexane

    46. Trans-1,2-diamino Cyclohexane

    47. Trans-1,2-diamino-cyclohexane

    48. Trans-1.2-diamino Cyclohexane

    49. (r,r)-1,2-diaminocyclohexane

    50. Trans-cyclohexane-1,2-di-amine

    51. (1r,2r)-(-)diaminocyclohexane

    52. Ssjxiuahekjcmh-phdidxhhsa-

    53. (r,r)-cyclohexane-1,2-diamine

    54. (trans)-cyclohexane-1,2-diamine

    55. Cyclohexane, Trans-1,2-diamino-

    56. Dtxsid60883654

    57. Rac-trans-1,2-diaminocyclohexane

    58. Chebi:228823

    59. (+)-1,2-trans-diaminocyclohexane

    60. (+)-trans-1,2-diaminocyclohexane

    61. Trans-(-)-1,2-diaminocyclohexane

    62. Cs-m2431

    63. Hy-76211a

    64. Racemic Trans 1,2-diaminocyclohexane

    65. Racemic Trans-1,2 Diaminocyclohexane

    66. Racemic Trans-1,2-diaminocyclohexane

    67. Trans (+/-) 1,2-cyclohexanediamine

    68. (r,r)-(-)-1,2-diaminocyclohexane

    69. 1,2-(+/-)-trans-diaminocyclohexane

    70. Akos005145909

    71. Akos015854170

    72. Rel-(1r,2r)-1,2-cyclohexanediamine

    73. (+/-)-trans-1,2-diamino Cyclohexane

    74. (+/-)-trans-cyclohexane-1,2-diamine

    75. Ac-6758

    76. (1r)-(-)-trans-1,2-diaminocyclohexane

    77. As-12165

    78. Bp-10074

    79. Hy-41957

    80. Trans-n,n'-1,2-cyclohexanediamine

    81. Db-002899

    82. (+/-)-trans-1,2-diaminocyclohexane, 99%

    83. Am20070468

    84. Cs-0019667

    85. Ns00125421

    86. 1,2-diaminocyclohexane, Trans-(-)-

    87. (1r,2r)-(-)-1,2-diaminocyclohexane, 98%

    88. En300-101371

    89. En300-244549

    90. F16348

    91. A802491

    92. A814560

    93. A848365

    94. Q-200008

    95. Q-201850

    96. Z1741961110

    97. 4-pyridinecarboxaldehyde,3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-,calcium Salt(1:1)

    98. Inchi=1/c6h14n2/c7-5-3-1-2-4-6(5)8/h5-6h,1-4,7-8h2/t5-,6-/m1/s1

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 114.19 g/mol
    Molecular Formula C6H14N2
    XLogP3-0.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area52
    Heavy Atom Count8
    Formal Charge0
    Complexity62.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1