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    Technical details about CAS 138113-09-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 138113-09-4

    BUILDING BLOCK

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    2D Structure
    Also known as: 138113-09-4, 2-(7-methoxy-1-naphthyl)ethanamine, 1-naphthaleneethanamine, 7-methoxy-, 2-(7-methoxy-1-naphthyl)ethylamine, 2-(7-methoxynaphthalen-1-yl)ethan-1-amine, Schembl124465
    Molecular Formula
    C13H15NO
    Molecular Weight
    201.26  g/mol
    InChI Key
    YXDUMIVUPSVYLB-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(7-methoxynaphthalen-1-yl)ethanamine
    2.1.2 InChI
    InChI=1S/C13H15NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7-8,14H2,1H3
    2.1.3 InChI Key
    YXDUMIVUPSVYLB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=C(C=CC=C2CCN)C=C1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 138113-09-4

    2. 2-(7-methoxy-1-naphthyl)ethanamine

    3. 1-naphthaleneethanamine, 7-methoxy-

    4. 2-(7-methoxy-1-naphthyl)ethylamine

    5. 2-(7-methoxynaphthalen-1-yl)ethan-1-amine

    6. Schembl124465

    7. Amy9191

    8. Dtxsid00453436

    9. 7-methoxynaphthalene-1-ethanamine

    10. (7-methoxy-1-naphthyl)ethyl Amine

    11. Bcp15348

    12. 2-(7-methoxynaphth-1-yl)ethylamine

    13. Mfcd09744147

    14. Zinc34619184

    15. Akos015998974

    16. 2-(7-methoxynaphthalen-1-yl)ethylamine

    17. Ts-01498

    18. 2-(7-methoxy-naphthalen-1-yl)-ethylamine

    19. Db-063232

    20. Cs-0445795

    21. Ft-0743448

    22. E84643

    23. A886311

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 201.26 g/mol
    Molecular Formula C13H15NO
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass201.115364102 g/mol
    Monoisotopic Mass201.115364102 g/mol
    Topological Polar Surface Area35.2 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity195
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1