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    CAS 943516-54-9

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    CAS 943516-54-9
    Also known as: 943516-54-9, Mfcd13176114, Schembl1569373, Dtxsid40712413, Cs-m1048, Akos006381588
    Molecular Formula
    C7H13N
    Molecular Weight
    111.18  g/mol
    InChI Key
    BGOMFPZIMJCRDV-UHFFFAOYSA-N
    1 2D Structure

    CAS 943516-54-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6,6-dimethyl-3-azabicyclo[3.1.0]hexane
    2.1.2 InChI
    InChI=1S/C7H13N/c1-7(2)5-3-8-4-6(5)7/h5-6,8H,3-4H2,1-2H3
    2.1.3 InChI Key
    BGOMFPZIMJCRDV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(C2C1CNC2)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 943516-54-9

    2. Mfcd13176114

    3. Schembl1569373

    4. Dtxsid40712413

    5. Cs-m1048

    6. Akos006381588

    7. Sb20072

    8. Ac-26249

    9. Da-18259

    10. Ds-17749

    11. Sy033500

    12. 6,6-dimethyl-3-azabicyclo-[3.1.0]hexane

    13. Ft-0696412

    14. En300-84156

    15. P11584

    16. 6,6-dimethyl-3-azabicyclo[3.1.0]hexane Boceprevir Key Intermediate

    2.3 Create Date
    2011-12-16
    3 Chemical and Physical Properties
    Molecular Weight 111.18 g/mol
    Molecular Formula C7H13N
    XLogP31
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass111.104799419 g/mol
    Monoisotopic Mass111.104799419 g/mol
    Topological Polar Surface Area12 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity106
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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