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    CAS 10420-89-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 10420-89-0, (s)-1-(naphthalen-1-yl)ethanamine, (1s)-1-(naphthalen-1-yl)ethan-1-amine, (1s)-1-naphthalen-1-ylethanamine, (1s)-1-(1-naphthyl)ethanamine, (s)-(-)-(1-naphthyl)ethylamine
    Molecular Formula
    C12H13N
    Molecular Weight
    171.24  g/mol
    InChI Key
    RTCUCQWIICFPOD-VIFPVBQESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S)-1-naphthalen-1-ylethanamine
    2.1.2 InChI
    InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m0/s1
    2.1.3 InChI Key
    RTCUCQWIICFPOD-VIFPVBQESA-N
    2.1.4 Canonical SMILES
    CC(C1=CC=CC2=CC=CC=C21)N
    2.1.5 Isomeric SMILES
    C[C@@H](C1=CC=CC2=CC=CC=C21)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 10420-89-0

    2. (s)-1-(naphthalen-1-yl)ethanamine

    3. (1s)-1-(naphthalen-1-yl)ethan-1-amine

    4. (1s)-1-naphthalen-1-ylethanamine

    5. (1s)-1-(1-naphthyl)ethanamine

    6. (s)-(-)-(1-naphthyl)ethylamine

    7. (s)-alpha-methyl-1-naphthalenemethanamine

    8. (s)-1-(1-naphthyl)ethylamine

    9. S-(-)-1-(1-naphthyl)ethylamine

    10. 1-naphthalenemethanamine, Alpha-methyl-, (alphas)-

    11. 1-naphthalenemethanamine, .alpha.-methyl-, (s)-

    12. (s)-(-)-alpha-(1-naphthyl)ethylamine

    13. Mfcd00064179

    14. (s)-(-)-.alpha.-(1-naphthyl)ethylamine

    15. Ai3-26858

    16. Schembl335062

    17. (s)-alpha-naphthyl Ethyl Amine

    18. (s)-1-(1-naphthyl)ethanamine

    19. (s)-1-(1-naphthyl)ethyl Amine

    20. Dtxsid201014549

    21. L-.alpha.-(1-naphthyl)ethylamine

    22. (s)-1-naphthalen-1-yl-ethylamine

    23. Act02376

    24. Cs-b0323

    25. Zinc1701854

    26. Akos015840615

    27. Ac-6138

    28. Ds-1633

    29. Fs-2383

    30. L-.alpha.-(.alpha.-naphthyl)ethylamine

    31. S-(-)-1-(.alpha.-naphthyl)ethylamine

    32. (1s)-(-)-1-(naphth-1-yl)ethylamine

    33. (s)- (+)-alpha-(1-naphthyl)ethylamine

    34. Bp-12898

    35. (r)-(+)-alpha-(1-aminoethyl)naphthalene

    36. (s)-(-)-a-methyl-1-naphthalenemethylamine

    37. (s)-.alpha.-methyl-1-naphthalenemethanamine

    38. Am20020136

    39. N0482

    40. (s)-(-)-1-(1-naphthyl)ethylamine, >=99%

    41. 420n890

    42. 1-naphthalenemethanamine, Alpha-methyl-, (s)-(-)-

    43. 1-naphthalenemethanamine, Alpha-methyl-, (.alpha.s)-

    44. 1-naphthalenemethanamine, .alpha.-methyl-, (s)-(-)-

    45. (s)-(-)-1-(1-naphthyl)ethylamine, Chipros(r), Produced By Basf, >=98.5% (gc)

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 171.24 g/mol
    Molecular Formula C12H13N
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass171.104799419 g/mol
    Monoisotopic Mass171.104799419 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity167
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1