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    CAS 702-79-4

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    CAS 702-79-4
    Also known as: 702-79-4, 1-3-dimethyladamantane, Adamantane, 1,3-dimethyl-, 1,3-dimethyl adamantane, 1,3-dimethyltricyclo[3.3.1.13,7]decane, 96g4od5z59
    Molecular Formula
    C12H20
    Molecular Weight
    164.29  g/mol
    InChI Key
    CWNOIUTVJRWADX-UHFFFAOYSA-N
    FDA UNII
    96G4OD5Z59
    1 2D Structure

    CAS 702-79-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,3-dimethyladamantane
    2.1.2 InChI
    InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3
    2.1.3 InChI Key
    CWNOIUTVJRWADX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC12CC3CC(C1)CC(C3)(C2)C
    2.2 Other Identifiers
    2.2.1 UNII
    96G4OD5Z59
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 702-79-4

    2. 1-3-dimethyladamantane

    3. Adamantane, 1,3-dimethyl-

    4. 1,3-dimethyl Adamantane

    5. 1,3-dimethyltricyclo[3.3.1.13,7]decane

    6. 96g4od5z59

    7. 1,3-dimethyltricyclo(3.3.1.13,7)decane

    8. 1,3-dimethyltricyclo[3.3.1.1(3,7)]decane

    9. Tricyclo[3.3.1.1(3,7)]decane, 1,3-dimethyl-

    10. Unii-96g4od5z59

    11. Einecs 211-870-8

    12. Mfcd00074755

    13. Memantine Intermediate

    14. 1,3-dimethyladamanta

    15. 1,5-dimethyladamantane

    16. 1 ,3-dimethyl Adamantane

    17. Memantine Related Compound A

    18. Dtxsid1049439

    19. Chebi:47900

    20. 1,3-dimethyladamantane, >=99%

    21. Act10899

    22. Bcp17452

    23. Bbl100109

    24. Stl452978

    25. Zinc54962211

    26. Akos015900608

    27. Akos025211682

    28. Adamantane,1,3-dimethyl- (6ci,8ci)

    29. Ac-14485

    30. Ls-14122

    31. Ms-20570

    32. Db-005636

    33. Cs-0152705

    34. D1081

    35. Ft-0606694

    36. Ft-0667257

    37. Memantine Related Compound A [usp-rs]

    38. 1,3-dimethyltricyclo[3.3.1.1~3,7~]decane

    39. Tricyclo[3.3.1.13,7]decane,1,3-dimethyl-

    40. 2-(phenylmethoxy)-propanoicacidethylester

    41. 222130a

    42. 702d794

    43. A836824

    44. Memantine Related Compound A [usp Impurity]

    45. Tricyclo[3.3.1.1<3,7>]decane, 1,3-dimethyl-

    46. W-104561

    47. Q27120846

    48. Memantine Related Compound A, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 164.29 g/mol
    Molecular Formula C12H20
    XLogP34.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass164.156500638 g/mol
    Monoisotopic Mass164.156500638 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity182
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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