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    CAS 38284-47-8

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    CAS 38284-47-8
    Also known as: 38284-47-8, 4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholine, (1s,2s,5s)-4-[2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]morpholine, 4-[2-(2-{6,6-dimethylbicyclo[3.1.1]heptan-2-yl}ethoxy)ethyl]morpholine, 4-[2-[2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethoxy]ethyl]morpholine, Dtxsid301158273
    Molecular Formula
    C17H31NO2
    Molecular Weight
    281.4  g/mol
    InChI Key
    FPLHEALBGYMFJM-UHFFFAOYSA-N
    1 2D Structure

    CAS 38284-47-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholine
    2.1.2 InChI
    InChI=1S/C17H31NO2/c1-17(2)15-4-3-14(16(17)13-15)5-9-19-10-6-18-7-11-20-12-8-18/h14-16H,3-13H2,1-2H3
    2.1.3 InChI Key
    FPLHEALBGYMFJM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(C2CCC(C1C2)CCOCCN3CCOCC3)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 38284-47-8

    2. 4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholine

    3. (1s,2s,5s)-4-[2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]morpholine

    4. 4-[2-(2-{6,6-dimethylbicyclo[3.1.1]heptan-2-yl}ethoxy)ethyl]morpholine

    5. 4-[2-[2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethoxy]ethyl]morpholine

    6. Dtxsid301158273

    7. Ss-5173

    8. 4-[2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]morpholine

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 281.4 g/mol
    Molecular Formula C17H31NO2
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass281.235479232 g/mol
    Monoisotopic Mass281.235479232 g/mol
    Topological Polar Surface Area21.7 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity312
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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