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    CAS 58349-17-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 58349-17-0, (s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride, (s)-(-)-5-methoxy-2-aminotetraline hydrochloride, (2s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride, (2s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride, 2-naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-, hydrochloride, (2s)-
    Molecular Formula
    C11H16ClNO
    Molecular Weight
    213.70  g/mol
    InChI Key
    CGLCAQWQPIFKRX-FVGYRXGTSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H15NO.ClH/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11;/h2-4,9H,5-7,12H2,1H3;1H/t9-;/m0./s1
    2.1.3 InChI Key
    CGLCAQWQPIFKRX-FVGYRXGTSA-N
    2.1.4 Canonical SMILES
    COC1=CC=CC2=C1CCC(C2)N.Cl
    2.1.5 Isomeric SMILES
    COC1=CC=CC2=C1CC[C@@H](C2)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 58349-17-0

    2. (s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine Hydrochloride

    3. (s)-(-)-5-methoxy-2-aminotetraline Hydrochloride

    4. (2s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine Hydrochloride

    5. (2s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

    6. 2-naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-, Hydrochloride, (2s)-

    7. Schembl3468007

    8. Dtxsid30483988

    9. Bcp12379

    10. Cs-m1827

    11. Mfcd08443937

    12. Akos015914933

    13. Ss-4843

    14. (2s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine--hydrogen Chloride (1/1)

    15. Ac-26363

    16. (s)-2-amino-5-methoxytetraline Hydrochloride

    17. A24940

    18. 349a170

    19. (s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine Hcl

    20. (s)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine Hydrochloride

    21. (s)-2-amino-5-methoxytetrahydronaphthalene Hydrochloride;(s)-2-amino-5-methoxytetralin Hydrochloride;4-tetrahydro-5-methoxy-

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 213.70 g/mol
    Molecular Formula C11H16ClNO
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass213.0920418 g/mol
    Monoisotopic Mass213.0920418 g/mol
    Topological Polar Surface Area35.2 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity172
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2