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    CAS 179321-49-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 179321-49-4, N-4-boc-aminocyclohexanone, 4-n-boc-aminocyclohexanone, Tert-butyl n-(4-oxocyclohexyl)carbamate, 4-(boc-amino)cyclohexanone, Tert-butyl 4-oxocyclohexylcarbamate
    Molecular Formula
    C11H19NO3
    Molecular Weight
    213.27  g/mol
    InChI Key
    WYVFPGFWUKBXPZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-(4-oxocyclohexyl)carbamate
    2.1.2 InChI
    InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,12,14)
    2.1.3 InChI Key
    WYVFPGFWUKBXPZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC1CCC(=O)CC1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 179321-49-4

    2. N-4-boc-aminocyclohexanone

    3. 4-n-boc-aminocyclohexanone

    4. Tert-butyl N-(4-oxocyclohexyl)carbamate

    5. 4-(boc-amino)cyclohexanone

    6. Tert-butyl 4-oxocyclohexylcarbamate

    7. (4-oxocyclohexyl)carbamic Acid Tert-butyl Ester

    8. (4-oxo-cyclohexyl)-carbamic Acid Tert-butyl Ester

    9. 4-(tert-butoxycarbonylamino)cyclohexanone

    10. Mfcd00798168

    11. N-boc-4-aminocyclohexanone

    12. Carbamic Acid, (4-oxocyclohexyl)-, 1,1-dimethylethyl Ester

    13. Boc-4-aminocyclohexanone

    14. 4-n-boc-amino-cyclohexanone

    15. N-t-boc-4-aminocyclohexanone

    16. 4-n-boc-4-aminocyclohexanone

    17. Schembl117269

    18. Chembl4925068

    19. T-butyl 4-oxocyclohexylcarbamate

    20. Dtxsid30363711

    21. Carbamic Acid, N-(4-oxocyclohexyl)-, 1,1-dimethylethyl Ester

    22. N-4-boc-aminocyclohexanone, 95%

    23. T-butyl (4-oxocyclohexyl)carbamate

    24. Act02722

    25. Bcp23195

    26. Cs-d1718

    27. Zinc1433125

    28. Tert-butyl 4-oxo-cyclohexylcarbamate

    29. Tert-butyl(4-oxocyclohexyl)carbamate

    30. 4-aminocyclohexanone, N-boc Protected

    31. Akos004910703

    32. Ac-1691

    33. Pb29108

    34. Ps-5440

    35. N-4-boc-aminocyclohexanone, Aldrichcpr

    36. Sy003388

    37. N-tert-butyloxycarbonyl-4-aminocyclohexanone

    38. A3978

    39. Am20070462

    40. B3856

    41. Ft-0601722

    42. 1,1-dimethylethyl (4-oxocyclohexyl)carbamate

    43. En300-74350

    44. 321b494

    45. A1-00714

    46. Q-102987

    47. F2167-1221

    48. Z255149962

    49. 4-n-boc-aminocyclohexanone/tert-butyl 4-oxocyclohexylcarbamate

    50. (4-oxocyclohexyl)carbamic Acid Tert-butyl Ester;n-boc-4-aminocyclohexanone

    2.3 Create Date
    2005-07-11
    3 Chemical and Physical Properties
    Molecular Weight 213.27 g/mol
    Molecular Formula C11H19NO3
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass213.13649347 g/mol
    Monoisotopic Mass213.13649347 g/mol
    Topological Polar Surface Area55.4 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity245
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1