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    CAS 1885-29-6

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    CAS 1885-29-6
    Also known as: 1885-29-6, Anthranilonitrile, 2-cyanoaniline, O-aminobenzonitrile, Benzonitrile, 2-amino-, O-cyanoaniline
    Molecular Formula
    C7H6N2
    Molecular Weight
    118.14  g/mol
    InChI Key
    HLCPWBZNUKCSBN-UHFFFAOYSA-N
    FDA UNII
    5RXH2B211R
    1 2D Structure

    CAS 1885-29-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-aminobenzonitrile
    2.1.2 InChI
    InChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2
    2.1.3 InChI Key
    HLCPWBZNUKCSBN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C#N)N
    2.2 Other Identifiers
    2.2.1 UNII
    5RXH2B211R
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. O-aminobenzonitrile

    2.3.2 Depositor-Supplied Synonyms

    1. 1885-29-6

    2. Anthranilonitrile

    3. 2-cyanoaniline

    4. O-aminobenzonitrile

    5. Benzonitrile, 2-amino-

    6. O-cyanoaniline

    7. 2-amino-benzonitrile

    8. Benzonitrile, Amino-

    9. 2-amino Benzonitrile

    10. Mfcd00007631

    11. 5rxh2b211r

    12. Dtxsid9051824

    13. Aminobenzonitrile

    14. Aminobenzonitrile(2-)

    15. 2-aminobenzenecarbonitrile

    16. 2-cyano-1-aminobenzene

    17. Einecs 217-549-9

    18. Brn 0907187

    19. Unii-5rxh2b211r

    20. 2-aminobenzo Nitrile

    21. Benzonitrile, O-amino-

    22. 2-amino-1-cyano-benzene

    23. 2- Aminobenzenecarbonitrile

    24. 2-aminobenzonitrile, 98%

    25. Schembl71324

    26. 4-14-00-01013 (beilstein Handbook Reference)

    27. Chembl3561681

    28. Dtxcid4030380

    29. 2-cyanoaniline;o-aminobenzonitrile

    30. Act00526

    31. Bcp33252

    32. Tox21_304036

    33. Stk802207

    34. Akos000120456

    35. Cs-w013598

    36. Ncgc00357243-01

    37. As-10868

    38. Bp-21336

    39. Cas-1885-29-6

    40. A0861

    41. Am20060057

    42. Ft-0611231

    43. En300-20429

    44. D70483

    45. An-584/40186357

    46. W-107755

    47. Q27262788

    48. F0020-1996

    49. Z104478174

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 118.14 g/mol
    Molecular Formula C7H6N2
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area49.8
    Heavy Atom Count9
    Formal Charge0
    Complexity133
    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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                              SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) f...
                              SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) for Pharmaceutical, Cosmetic and Fine Chemical Industry. SLN Pharmachem is an ISO certified and has its manufacturing unit backed up by professionals who are desirous in manufacturing new, difficult to produce molecules with success to achieve the best quality standards in the international competition.
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                              fermion-oy-2024-05-13

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