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    Technical details about CAS 94-32-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 94-32-6

    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: 94-32-6, Ethyl p-butylaminobenzoate, Ethyl 4-butylaminobenzoate, Benzoic acid, 4-(butylamino)-, ethyl ester, 4-(butylamino)benzoic acid ethyl ester, D68ep3v31w
    Molecular Formula
    C13H19NO2
    Molecular Weight
    221.29  g/mol
    InChI Key
    GTXRSQYDLPYYNW-UHFFFAOYSA-N
    FDA UNII
    D68EP3V31W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 4-(butylamino)benzoate
    2.1.2 InChI
    InChI=1S/C13H19NO2/c1-3-5-10-14-12-8-6-11(7-9-12)13(15)16-4-2/h6-9,14H,3-5,10H2,1-2H3
    2.1.3 InChI Key
    GTXRSQYDLPYYNW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCNC1=CC=C(C=C1)C(=O)OCC
    2.2 Other Identifiers
    2.2.1 UNII
    D68EP3V31W
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 94-32-6

    2. Ethyl P-butylaminobenzoate

    3. Ethyl 4-butylaminobenzoate

    4. Benzoic Acid, 4-(butylamino)-, Ethyl Ester

    5. 4-(butylamino)benzoic Acid Ethyl Ester

    6. D68ep3v31w

    7. 4-(n-butylamino)benzoic Acid Ethyl Ester

    8. Ethyl 4-(butylamino)benzoate(4-(butylamino)benzoic Acid Ethyl Ester)

    9. Unii-d68ep3v31w

    10. Einecs 202-322-9

    11. Ethyl P-(butylamino) Benzoate

    12. Schembl5025348

    13. Ethyl 4-(n-butylamino)benzoate

    14. Ethyl-(4-n-butylamino)benzoate

    15. Dtxsid1059101

    16. Ethyl 4-(butylamino)benzoate #

    17. Amy8838

    18. Cs-m3379

    19. Zinc1848484

    20. Ethyl 4-(butylamino)benzoate, 98%

    21. Mfcd00017283

    22. Akos009048578

    23. As-14744

    24. Db-057490

    25. Ft-0616833

    26. A844918

    27. W-109351

    28. Q27276166

    29. Ethyl 4-(butylamino)benzoate; Ethyl P-butylaminobenzoate

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 221.29 g/mol
    Molecular Formula C13H19NO2
    XLogP34.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass221.141578849 g/mol
    Monoisotopic Mass221.141578849 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity198
    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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