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    Chemistry

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    Also known as: 7712-50-7, 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-n,n-diethylethanamine, Myrtecain, Schembl26074, Chembl1630579, Dtxsid00864109
    Molecular Formula
    C17H31NO
    Molecular Weight
    265.4  g/mol
    InChI Key
    BZRYYBWNOUALTQ-UHFFFAOYSA-N
    Myrtecaine
    1 2D Structure

    Myrtecaine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-N,N-diethylethanamine
    2.1.2 InChI
    InChI=1S/C17H31NO/c1-5-18(6-2)10-12-19-11-9-14-7-8-15-13-16(14)17(15,3)4/h7,15-16H,5-6,8-13H2,1-4H3
    2.1.3 InChI Key
    BZRYYBWNOUALTQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(CC)CCOCCC1=CCC2CC1C2(C)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2-homomyrtenyloxy-1-(diethylamino)-ethane

    2. Nopoxamine

    2.2.2 Depositor-Supplied Synonyms

    1. 7712-50-7

    2. 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-n,n-diethylethanamine

    3. Myrtecain

    4. Schembl26074

    5. Chembl1630579

    6. Dtxsid00864109

    7. 3-(4-methanesulfonylbenzoyl)propionicacid

    8. 2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethoxy]-n,n-diethylethan-1-amine

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 265.4 g/mol
    Molecular Formula C17H31NO
    XLogP33.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count8
    Exact Mass265.240564612 g/mol
    Monoisotopic Mass265.240564612 g/mol
    Topological Polar Surface Area12.5 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity317
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    02-Jan-2021
    16-Jan-2024
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