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    Chemistry

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    Also known as: 4419-92-5, Diethylamine 2-hydroxybenzoate, N-ethylethanamine;2-hydroxybenzoic acid, Diethylammonium salicylate, Schembl1070298, Dtxsid20963183
    Molecular Formula
    C11H17NO3
    Molecular Weight
    211.26  g/mol
    InChI Key
    JGMKRAUEFASZKH-UHFFFAOYSA-N
    FDA UNII
    5V7PT38BJU
    Diethylamine Salicylate
    1 2D Structure

    Diethylamine Salicylate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-ethylethanamine;2-hydroxybenzoic acid
    2.1.2 InChI
    InChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);5H,3-4H2,1-2H3
    2.1.3 InChI Key
    JGMKRAUEFASZKH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCNCC.C1=CC=C(C(=C1)C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    5V7PT38BJU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Algesal

    2.3.2 Depositor-Supplied Synonyms

    1. 4419-92-5

    2. Diethylamine 2-hydroxybenzoate

    3. N-ethylethanamine;2-hydroxybenzoic Acid

    4. Diethylammonium Salicylate

    5. Schembl1070298

    6. Dtxsid20963183

    7. Diethylamine Salicylate [mart.]

    8. Sb78772

    9. Diethylamine Salicylate [who-dd]

    10. Ds-14103

    11. Db-051194

    12. Cs-0187365

    13. Ft-0624875

    14. D81871

    15. 2-hydroxybenzoic Acid--n-ethylethanamine (1/1)

    16. A855543

    17. Q27262917

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 211.26 g/mol
    Molecular Formula C11H17NO3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass211.12084340 g/mol
    Monoisotopic Mass211.12084340 g/mol
    Topological Polar Surface Area69.6 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity144
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    16-Aug-2021
    23-May-2024
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