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    Technical details about CAS 707-36-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 707-36-8

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    2D Structure
    Also known as: 707-36-8, 5-chloro-1,3-dimethyladamantane, 1,3-dimethyl-5-chloroadamantane, 1-chloro-3,5-dimethyl-adamantane, Q8e5db8wpy, Mfcd00074841
    Molecular Formula
    C12H19Cl
    Molecular Weight
    198.73  g/mol
    InChI Key
    PXDRFQZLDWZHPX-UHFFFAOYSA-N
    FDA UNII
    Q8E5DB8WPY
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-chloro-3,5-dimethyladamantane
    2.1.2 InChI
    InChI=1S/C12H19Cl/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
    2.1.3 InChI Key
    PXDRFQZLDWZHPX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC12CC3CC(C1)(CC(C3)(C2)Cl)C
    2.2 Other Identifiers
    2.2.1 UNII
    Q8E5DB8WPY
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 707-36-8

    2. 5-chloro-1,3-dimethyladamantane

    3. 1,3-dimethyl-5-chloroadamantane

    4. 1-chloro-3,5-dimethyl-adamantane

    5. Q8e5db8wpy

    6. Mfcd00074841

    7. Tricyclo[3.3.1.13,7]decane, 1-chloro-3,5-dimethyl-

    8. Chlorodimethyladamantane

    9. Unii-q8e5db8wpy

    10. Ec 615-149-2

    11. Schembl810646

    12. 1-chloro-3,5-dimethyltricyclo[3.3.1.13,7]decane

    13. 3,5-dimethyl-1-chloroadamantane

    14. Dtxsid70390748

    15. 5-chloro-1,3-dimethyl Adamantane

    16. 1-chloranyl-3,5-dimethyl-adamantane

    17. Stl452977

    18. Akos015850596

    19. Cs-w010523

    20. As-60554

    21. Sy053163

    22. Db-019122

    23. Adamantane, 1-chloro-3,5-dimethyl-

    24. C1981

    25. Ft-0620206

    26. Memantine Related Compound C [usp-rs]

    27. D78261

    28. A836976

    29. Memantine Related Compound C [usp Impurity]

    30. 1-chloro-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane

    31. Tricyclo(3.3.1.1(sup 3,7))decane, 1-chloro-3,5-dimethyl-

    2.4 Create Date
    2005-09-06
    3 Chemical and Physical Properties
    Molecular Weight 198.73 g/mol
    Molecular Formula C12H19Cl
    XLogP34.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass198.1175283 g/mol
    Monoisotopic Mass198.1175283 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity240
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1