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    CAS 144689-94-1

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    CAS 144689-94-1
    Also known as: 144689-94-1, Diethyl 2-propylimidazole-4,5-dicarboxylate, 2-propyl-1h-imidazole-4,5-dicarboxylic acid diethyl ester, 1h-imidazole-4,5-dicarboxylic acid, 2-propyl-, diethyl ester, 2-propyl-1h- imidazole-4,5-dicarboxy acid diethyl ester, 2-propylimidazoledicarboxylic acid diethyl ester
    Molecular Formula
    C12H18N2O4
    Molecular Weight
    254.28  g/mol
    InChI Key
    ZQPMIDPIXSMOAD-UHFFFAOYSA-N
    1 2D Structure

    CAS 144689-94-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate
    2.1.2 InChI
    InChI=1S/C12H18N2O4/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3/h4-7H2,1-3H3,(H,13,14)
    2.1.3 InChI Key
    ZQPMIDPIXSMOAD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCC1=NC(=C(N1)C(=O)OCC)C(=O)OCC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 144689-94-1

    2. Diethyl 2-propylimidazole-4,5-dicarboxylate

    3. 2-propyl-1h-imidazole-4,5-dicarboxylic Acid Diethyl Ester

    4. 1h-imidazole-4,5-dicarboxylic Acid, 2-propyl-, Diethyl Ester

    5. 2-propyl-1h- Imidazole-4,5-dicarboxy Acid Diethyl Ester

    6. 2-propylimidazoledicarboxylic Acid Diethyl Ester

    7. Mfcd08062365

    8. Diethyl-2-propylimidazole-4,5-dicarboxylate

    9. Schembl1275935

    10. Dtxsid30437764

    11. Albb-024381

    12. Stk665514

    13. Zinc12411415

    14. Akos003406873

    15. Ac-3502

    16. Cs-w003461

    17. Ks-5265

    18. Sy012593

    19. Db-042743

    20. D3765

    21. Ft-0602355

    22. 689i941

    23. J-007998

    24. J-520004

    25. 1h-imidazole-4,5-dicarboxylicacid,2-proply,diethylester

    26. 1h-imidazole-4,5-dicarboxylic Acid,2-propyl,diethyl Ester

    27. 1h-imidazole-4,5-dicarboxylic Acid, 2-propyl-, 4,5-diethyl Ester

    28. 2-propyl-1h-imidazole-4, 5-dicarboxylic Acid Diethyl Ester

    29. Carbonic Acid Compound With Diethyl Carbonate And 2-propyl-1h-imidazole (1:1:1)

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 254.28 g/mol
    Molecular Formula C12H18N2O4
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass254.12665706 g/mol
    Monoisotopic Mass254.12665706 g/mol
    Topological Polar Surface Area81.3 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity296
    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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        Syngenesis Chemscience Private Limited founded in 2017. Headquarters in Nashik, Maharashtra, India. We su...
        Syngenesis Chemscience Private Limited founded in 2017. Headquarters in Nashik, Maharashtra, India. We support customers located across India and Globe. Our state-of-the-art and Manufacturing facility is located at Nashik, Maharashtra, India. Syngenesis Chemscience Private Limited is committed to provide outstanding customer service and high quality pharmaceuticals Drug Intermediates and Drug Substances (Active Pharmaceuticals Ingredients) in a timely manner to meet customer requirements. We are manufacturer of many pharmaceuticals Drug Intermediates and Drug Substances (Active Pharmaceuticals Ingredients) in a timely manner.
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