loader
Please Wait
Applying Filters...

Renejix CDMO Partner for Small Molecule Oral Dosage Forms Renejix CDMO Partner for Small Molecule Oral Dosage Forms

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 2044-88-4, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 2044-88-4

    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 2044-88-4, 2,4-dinitro-n-methylaniline, (2,4-dinitro-phenyl)-methyl-amine, Benzenamine, n-methyl-2,4-dinitro-, (2,4-dinitrophenyl)methylamine, Aniline, n-methyl-2,4-dinitro-
    Molecular Formula
    C7H7N3O4
    Molecular Weight
    197.15  g/mol
    InChI Key
    IQEJEZOCXWJNKR-UHFFFAOYSA-N
    FDA UNII
    YMZ75L8MPZ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-methyl-2,4-dinitroaniline
    2.1.2 InChI
    InChI=1S/C7H7N3O4/c1-8-6-3-2-5(9(11)12)4-7(6)10(13)14/h2-4,8H,1H3
    2.1.3 InChI Key
    IQEJEZOCXWJNKR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    YMZ75L8MPZ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,4-dinitrophenylmethylamine

    2.3.2 Depositor-Supplied Synonyms

    1. 2044-88-4

    2. 2,4-dinitro-n-methylaniline

    3. (2,4-dinitro-phenyl)-methyl-amine

    4. Benzenamine, N-methyl-2,4-dinitro-

    5. (2,4-dinitrophenyl)methylamine

    6. Aniline, N-methyl-2,4-dinitro-

    7. 2,4-dinitrophenylmethylamine

    8. Ymz75l8mpz

    9. N-methyl-2,4-dinitrobenzenamine

    10. Nsc-36958

    11. N'-methyl-2,4-dinitroaniline

    12. N-methyl-2,4-dinitro-aniline

    13. Unii-ymz75l8mpz

    14. Nsc 36958

    15. Einecs 218-062-4

    16. Einecs 275-689-6

    17. 1-(methylamino)-2,4-dinitrobenzene

    18. N-methyl-2,4(or 2,6)-dinitroaniline

    19. Ai3-30796

    20. Schembl365880

    21. Dtxsid80942616

    22. 1-methylamino-2,4-dinitrobenzene

    23. Nsc36958

    24. Zinc4115694

    25. Ab3953

    26. Bbl034683

    27. Mfcd00024399

    28. Stl356369

    29. Akos000352078

    30. N-(2,4-dinitrophenyl)-n-methylamine

    31. 71607-48-2

    32. As-62064

    33. Db-066209

    34. Bb 0218044

    35. Ft-0671703

    36. 044d884

    37. Ae-641/30106017

    38. J-013332

    39. J-523646

    40. Q27294598

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 197.15 g/mol
    Molecular Formula C7H7N3O4
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass197.04365571 g/mol
    Monoisotopic Mass197.04365571 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity234
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY