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    CAS 100-15-2

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    CAS 100-15-2
    Also known as: 100-15-2, Benzenamine, n-methyl-4-nitro-, N-methyl-p-nitroaniline, 4-nitro-n-methylaniline, N-methyl-p-nitraniline, P-(methylamino)nitrobenzene
    Molecular Formula
    C7H8N2O2
    Molecular Weight
    152.15  g/mol
    InChI Key
    XIFJZJPMHNUGRA-UHFFFAOYSA-N
    FDA UNII
    J836WLV9BW
    1 2D Structure

    CAS 100-15-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-methyl-4-nitroaniline
    2.1.2 InChI
    InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
    2.1.3 InChI Key
    XIFJZJPMHNUGRA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNC1=CC=C(C=C1)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    J836WLV9BW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N-methyl-p-nitroaniline

    2. N-methyl-para-nitroaniline

    2.3.2 Depositor-Supplied Synonyms

    1. 100-15-2

    2. Benzenamine, N-methyl-4-nitro-

    3. N-methyl-p-nitroaniline

    4. 4-nitro-n-methylaniline

    5. N-methyl-p-nitraniline

    6. P-(methylamino)nitrobenzene

    7. N-monomethyl-p-nitroaniline

    8. Aniline, N-methyl-p-nitro-

    9. P-nitro-n-methylaniline

    10. Nsc 5390

    11. N-methyl-4-nitrobenzenamine

    12. N-methyl-4-nitro-aniline

    13. J836wlv9bw

    14. Dtxsid7025635

    15. Nsc-5390

    16. 4-methylaminonitrobenzene

    17. Einecs 202-823-2

    18. Methyl(4-nitrophenyl)amine

    19. 4-(methylamino)nitrobenzene

    20. Nitronaniline

    21. Ai3-08826

    22. Nsc5390

    23. Mfcd00007305

    24. 4-methylamino-nitrobenzene

    25. Unii-j836wlv9bw

    26. Ec 202-823-2

    27. Methyl-4-nitroaniline, N-

    28. N-methyl(4-nitrophenyl)amine

    29. (4-nitro-phenyl)-methylamine

    30. Mls002415758

    31. P-(n-methylamino)nitrobenzene

    32. Schembl177790

    33. Dtxcid605635

    34. Methyl-(4-nitro-phenyl)-amine

    35. Chembl1329734

    36. N-methyl-4-nitroaniline, 97%

    37. Schembl12707572

    38. N-(4-nitrophenyl)-n-methylamine

    39. Hms3039b06

    40. N-(4-nitrophenyl)-n-methylaniline

    41. Amy40126

    42. Bcp04516

    43. Str06194

    44. Zinc3860557

    45. Tox21_200001

    46. N-methyl-n-(4-nitrophenyl)amine #

    47. Akos002312303

    48. Ps-4951

    49. Ncgc00091370-01

    50. Ncgc00091370-02

    51. Ncgc00257555-01

    52. Cas-100-15-2

    53. Smr001370918

    54. Db-003080

    55. Cs-0011554

    56. Ft-0629710

    57. M1011

    58. A800059

    59. Ac-907/25014172

    60. W-109374

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 152.15 g/mol
    Molecular Formula C7H8N2O2
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area57.8
    Heavy Atom Count11
    Formal Charge0
    Complexity136
    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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