loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 2199-51-1, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 2199-51-1

    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: 2199-51-1, 2,4-dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester, Ethyl 2,4-dimethylpyrrole-3-carboxylate, 1h-pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester, 2,4-dimethylpyrrole-3-carboxylic acid ethyl ester, Mfcd01365811
    Molecular Formula
    C9H13NO2
    Molecular Weight
    167.20  g/mol
    InChI Key
    QWSFDUPEOPMXCV-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
    2.1.2 InChI
    InChI=1S/C9H13NO2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10H,4H2,1-3H3
    2.1.3 InChI Key
    QWSFDUPEOPMXCV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=C(NC=C1C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2199-51-1

    2. 2,4-dimethyl-1h-pyrrole-3-carboxylic Acid Ethyl Ester

    3. Ethyl 2,4-dimethylpyrrole-3-carboxylate

    4. 1h-pyrrole-3-carboxylic Acid, 2,4-dimethyl-, Ethyl Ester

    5. 2,4-dimethylpyrrole-3-carboxylic Acid Ethyl Ester

    6. Mfcd01365811

    7. Nsc13425

    8. Mls000516371

    9. 2,4-dimethyl-1h-pyrrole-3-carboxylic Acid Ethylester

    10. Schembl1316433

    11. Chembl1999809

    12. Dtxsid80176414

    13. 2,4-dimethyl-3-carbethoxypyrrole

    14. Hms2653h13

    15. 2,4-dimethyl-3-carbethoxy-pyrrole

    16. Act01687

    17. Bcp27291

    18. Zinc1729613

    19. Nsc 13425

    20. Nsc-13425

    21. Akos001063868

    22. Ac-1930

    23. Cs-w005791

    24. Fs-2249

    25. Pb24722

    26. Sb21669

    27. Wt81731

    28. Ncgc00246080-01

    29. Smr000342505

    30. Sy034114

    31. Db-011937

    32. A4721

    33. Am20090210

    34. E1075

    35. Ethyl2,4-dimethyl-1h-pyrrole-3-carboxylate

    36. Ft-0649097

    37. En300-17441

    38. 199d511

    39. W-201903

    40. Z56933875

    41. F9995-0105

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 167.20 g/mol
    Molecular Formula C9H13NO2
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass167.094628657 g/mol
    Monoisotopic Mass167.094628657 g/mol
    Topological Polar Surface Area42.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity170
    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