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    CAS 281-23-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 281-23-2, Tricyclo[3.3.1.13,7]decane, Adamantan, Tricyclo[3.3.1.1(3,7)]decane, Einecs 206-001-4, Tricyclo[3.3.1.1~3,7~]decane
    Molecular Formula
    C10H16
    Molecular Weight
    136.23  g/mol
    InChI Key
    ORILYTVJVMAKLC-UHFFFAOYSA-N
    FDA UNII
    PJY633525U
    A tricyclo bridged hydrocarbon.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    adamantane
    2.1.2 InChI
    InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
    2.1.3 InChI Key
    ORILYTVJVMAKLC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2CC3CC1CC(C2)C3
    2.2 Other Identifiers
    2.2.1 UNII
    PJY633525U
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Diamantane

    2.3.2 Depositor-Supplied Synonyms

    1. 281-23-2

    2. Tricyclo[3.3.1.13,7]decane

    3. Adamantan

    4. Tricyclo[3.3.1.1(3,7)]decane

    5. Einecs 206-001-4

    6. Tricyclo[3.3.1.1~3,7~]decane

    7. Nsc 527913

    8. Unii-pjy633525u

    9. Chebi:40519

    10. Tricyclo(3.3.1.13,7)decane

    11. Pjy633525u

    12. Nsc-527913

    13. A 0696; Nsc 527913

    14. Ec 206-001-4

    15. Tricyclo[3.3.1.1]decane

    16. Adamantine

    17. Mfcd00074719

    18. Adamantane; >99%

    19. Diamantane (obsolete)

    20. Adamantane, >=99%

    21. Adamantane [mi]

    22. Amy793

    23. Chembl1230831

    24. Dtxsid5022017

    25. Hy-n2427

    26. Adamantane (purified By Sublimation)

    27. C12cc3cc(c1)cc(c2)c3

    28. Nsc527913

    29. Tricyclo[3.3.1.1<3,7>]decane

    30. Adamantane Tricyclo[3.3.1.1]decane

    31. Akos000119960

    32. Akos004908007

    33. Tricyclo(3.3.1.1(3,7)-)decane

    34. Db03627

    35. Ds-4960

    36. Tricyclo(3,3,1,1,<3,7>)-decane

    37. As-12242

    38. Ls-157064

    39. A0696

    40. A3233

    41. Cs-0022641

    42. Ft-0621893

    43. S2869

    44. En300-19684

    45. D88553

    46. A819332

    47. Q351461

    48. W-107075

    49. F0001-0891

    50. Z104474730

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 136.23 g/mol
    Molecular Formula C10H16
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area0
    Heavy Atom Count10
    Formal Charge0
    Complexity75.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1