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    CAS 42882-31-5

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 42882-31-5, (+/-)1-(1-naphthyl)ethylamine, 1-(naphthalen-1-yl)ethanamine, 1-naphthalen-1-ylethanamine, 1-(1-naphthyl)ethanamine, (+/-)-1-(1-naphthyl)ethylamine
    Molecular Formula
    C12H13N
    Molecular Weight
    171.24  g/mol
    InChI Key
    RTCUCQWIICFPOD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    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
    2.1.3 InChI Key
    RTCUCQWIICFPOD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC=CC2=CC=CC=C21)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1-naetam

    2.2.2 Depositor-Supplied Synonyms

    1. 42882-31-5

    2. (+/-)1-(1-naphthyl)ethylamine

    3. 1-(naphthalen-1-yl)ethanamine

    4. 1-naphthalen-1-ylethanamine

    5. 1-(1-naphthyl)ethanamine

    6. (+/-)-1-(1-naphthyl)ethylamine

    7. Dl-1-(1-naphthyl)ethylamine

    8. 1-(naphthalen-1-yl)ethan-1-amine

    9. R-(+)-1-(1-naphthyl)ethylamine

    10. 1-(1-napthyl)ethylamine

    11. Mfcd00004014

    12. 1-(1-naphthyl)ethanamine #

    13. 1-naphthalen-1-yl-ethylamine

    14. Mfcd00064114

    15. 3309-13-5

    16. (r)-(+)-alpha-(1-naphthyl)ethylamine

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

    18. Nsc 75881

    19. Nsc180601

    20. Anea

    21. Cinacalcet Impurity A

    22. Nsc 180601

    23. Alpha-naphthylethylamine

    24. Starbld0002964

    25. 1-naphthalenemethanamine, .alpha.-methyl-

    26. 1-naphthalenemethanamine, .alpha.-methyl-, (s)-

    27. Alpha-naphthyl Ethyl Amine

    28. 1-(naphth-1-yl)ethylamine

    29. Schembl128713

    30. Chembl217783

    31. Schembl1906169

    32. Schembl21538667

    33. (+)-1-(1-naphthyl)ethylamine

    34. Dl-1-(1-naphthyl)-ethyl Amine

    35. Dtxsid40885878

    36. 1-(1-naphthyl)ethylamine, 98%

    37. (+/-)-1-(1-naphthyl)ethanamine

    38. Albb-002137

    39. Amy31218

    40. Bcp19747

    41. Cs-m0087

    42. Dl-alpha-(1-aminoethyl)naphthalene

    43. Nsc75881

    44. Nsc75882

    45. .+/-.-1-(1-naphthyl)ethylamine

    46. Einecs 223-425-5

    47. Bbl017842

    48. Nsc-75881

    49. Nsc-75882

    50. Stk486972

    51. 1-naphthalenemethanamine, (.+-.)-

    52. Akos000121452

    53. Akos016050384

    54. Nsc-180601

    55. Pb48766

    56. Sb36972

    57. 1-naphthalenemethanamine, Alpha-methyl-

    58. Ds-14626

    59. Sy020862

    60. Sy032143

    61. (r)-alpha-methyl-1-naphthalenemethanamine

    62. Ai3-26857

    63. Db-015887

    64. Db-018070

    65. Db-050983

    66. Ft-0601942

    67. Ft-0604442

    68. Ft-0605082

    69. Ft-0672644

    70. Ft-0690506

    71. N0523

    72. A826048

    73. 1-naphthalenemethanamine, Alpha-methyl-, (alphar)-

    74. 1-naphthalenemethanamine, Alpha-methyl-, (r)-(+)-

    75. J-500066

    76. 1-naphthalenemethanamine, .alpha.-methyl-, (.+/-.)-

    77. 1-naphthalenemethanamine, .alpha.-methyl-, (.alpha.r)-

    78. 1-naphthalenemethanamine, .alpha.-methyl-, (.alpha.s)-

    79. Z1891772896

    80. Cyclopropylmethyl Cyclobutanecarboxylate;1-(1-naphthyl)ethylamine

    2.3 Create Date
    2005-03-26
    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 Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1