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    CAS 917342-29-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 917342-29-1, 1069120-19-9, Tert-butyl cis-4-(2-hydroxyethyl)-cyclohexylcarbamate, Tert-butyl trans-4-(2-hydroxyethyl)-cyclohexylcarbamate, Tert-butyl cis-4-(2-hydroxyethyl)cyclohexylcarbamate, Tert-butyl trans-4-(2-hydroxyethyl)cyclohexylcarbamate
    Molecular Formula
    C13H25NO3
    Molecular Weight
    243.34  g/mol
    InChI Key
    KTNFSGIXLVLQNK-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]carbamate
    2.1.2 InChI
    InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15/h10-11,15H,4-9H2,1-3H3,(H,14,16)
    2.1.3 InChI Key
    KTNFSGIXLVLQNK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC1CCC(CC1)CCO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 917342-29-1

    2. 1069120-19-9

    3. Tert-butyl Cis-4-(2-hydroxyethyl)-cyclohexylcarbamate

    4. Tert-butyl Trans-4-(2-hydroxyethyl)-cyclohexylcarbamate

    5. Tert-butyl Cis-4-(2-hydroxyethyl)cyclohexylcarbamate

    6. Tert-butyl Trans-4-(2-hydroxyethyl)cyclohexylcarbamate

    7. 1403764-89-5

    8. Tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]carbamate

    9. Tert-butyl 4-(2-hydroxyethyl)cyclohexylcarbamate

    10. Mfcd03844626

    11. Trans-4-(boc-amino)cyclohexaneethanol

    12. Cis-tert-butyl (4-(2-hydroxyethyl)cyclohexyl)carbamate

    13. Carbamic Acid, N-[trans-4-(2-hydroxyethyl)cyclohexyl]-, 1,1-dimethylethyl Ester

    14. Trans-tert-butyl (4-(2-hydroxyethyl)cyclohexyl)carbamate

    15. Tert-butyl [trans-4-(2-hydroxyethyl)cyclohexyl]carbamate

    16. 2-[4-(boc-amino)cyclohexyl]ethanol

    17. Schembl619803

    18. Schembl619804

    19. Schembl12440132

    20. Dtxsid301168955

    21. Mfcd03844625

    22. Mfcd22628284

    23. Akos027324556

    24. Zinc100007028

    25. Zinc100007353

    26. As-43519

    27. Ds-11524

    28. Sy100092

    29. Sy277959

    30. Db-096726

    31. Db-101994

    32. Cs-0008599

    33. Cs-0212753

    34. Tert-butyl4-(2-hydroxyethyl)cyclohexylcarbamate

    35. A915428

    36. A1-01072

    37. Butyl [trans-4-(2-hydroxyethyl)cyclohexyl]carbamate

    38. F2147-8811

    39. Tert-butyl ((1r,4r)-4-(2-hydroxyethyl)cyclohexyl)carbamate

    40. Tert-butyl N-[(1r,4r)-4-(2-hydroxyethyl)cyclohexyl]carbamate

    41. 1,1-dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate

    42. [trans-4-(2-hydroxy-ethyl)-cyclohexyl]-carbamic Acid Tert-butyl Ester

    2.3 Create Date
    2008-02-29
    3 Chemical and Physical Properties
    Molecular Weight 243.34 g/mol
    Molecular Formula C13H25NO3
    XLogP32.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass243.18344366 g/mol
    Monoisotopic Mass243.18344366 g/mol
    Topological Polar Surface Area58.6 Ų
    Heavy Atom Count17
    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 Count1