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    Technical details about CAS 873-74-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 873-74-5

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 873-74-5, 4-cyanoaniline, P-aminobenzonitrile, P-cyanoaniline, Benzonitrile, 4-amino-, Benzonitrile, p-amino-
    Molecular Formula
    C7H6N2
    Molecular Weight
    118.14  g/mol
    InChI Key
    YBAZINRZQSAIAY-UHFFFAOYSA-N
    FDA UNII
    PB8V69Y76T
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-aminobenzonitrile
    2.1.2 InChI
    InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2
    2.1.3 InChI Key
    YBAZINRZQSAIAY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C#N)N
    2.2 Other Identifiers
    2.2.1 UNII
    PB8V69Y76T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. P-aminobenzonitrile

    2. Para-aminobenzonitrile

    2.3.2 Depositor-Supplied Synonyms

    1. 873-74-5

    2. 4-cyanoaniline

    3. P-aminobenzonitrile

    4. P-cyanoaniline

    5. Benzonitrile, 4-amino-

    6. Benzonitrile, P-amino-

    7. 1-amino-4-cyanobenzene

    8. Aniline, P-cyano-

    9. 4-amino-benzonitrile

    10. P-cyanophenylamine

    11. Mfcd00007821

    12. 4-amino Benzonitrile

    13. Pb8v69y76t

    14. Nsc-7625

    15. 4-amino-benzonitril

    16. Nsc 7625

    17. Einecs 212-850-1

    18. Brn 0774507

    19. Unii-pb8v69y76t

    20. P-cyanoaniiine

    21. Ai3-24185

    22. 4-cyanoanilin

    23. 4-cyano Aniline

    24. 4-aminobezonitrile

    25. Akos B029065

    26. 4-aminobenonitrile

    27. 4-cyanobenzenamine

    28. 4-cyanophenylamine

    29. 4-cyanobenzeneamine

    30. 4-cyano-phenylamine

    31. 4-cyanophenyl Amine

    32. P-amino Benzonitrile

    33. 4-aminophenylnitrile

    34. 4-aminobenzenenitrile

    35. Cyanoaniline, P-

    36. Wln: Zr Dcn

    37. 4-azanylbenzenecarbonitrile

    38. 4-aminobenzonitrile, 98%

    39. Schembl55548

    40. 4-14-00-01158 (beilstein Handbook Reference)

    41. Dtxsid0061240

    42. Nsc7625

    43. Zinc152697

    44. Act08059

    45. Bcp04531

    46. Cs-d1531

    47. Benzoic Acid,4-amino,nitrile

    48. Stk080905

    49. Akos000119675

    50. Ps-6161

    51. Bp-21363

    52. Db-006652

    53. A0695

    54. Am20060059

    55. Ft-0601337

    56. 4-diazo-n,n-diethylanilinefluoroborate

    57. S12319

    58. A842114

    59. Ac-907/34118024

    60. W-104029

    61. Q27286445

    62. Z57073771

    63. F5608-0079

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 118.14 g/mol
    Molecular Formula C7H6N2
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass118.053098200 g/mol
    Monoisotopic Mass118.053098200 g/mol
    Topological Polar Surface Area49.8 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity125
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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