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    Technical details about P-Tert-Amylphenol Sodium Salt, learn more about the structure, uses, toxicity, action, side effects and more

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    P-Tert-Amylphenol Sodium Salt

    DOSSIERs // Finished Dosage Forms

    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: 31366-95-7, P-tert-amylphenol sodium salt, Sodium 4-(2-methylbutan-2-yl)phenolate, 4-(1,1-dimethylpropyl)phenol sodium salt, Phenol, 4-(1,1-dimethylpropyl)-, sodium salt, Olb88wk93s
    Molecular Formula
    C11H15NaO
    Molecular Weight
    186.23  g/mol
    InChI Key
    QZIINTXQNXZHLR-UHFFFAOYSA-M
    FDA UNII
    OLB88WK93S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;4-(2-methylbutan-2-yl)phenolate
    2.1.2 InChI
    InChI=1S/C11H16O.Na/c1-4-11(2,3)9-5-7-10(12)8-6-9;/h5-8,12H,4H2,1-3H3;/q;+1/p-1
    2.1.3 InChI Key
    QZIINTXQNXZHLR-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CCC(C)(C)C1=CC=C(C=C1)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    OLB88WK93S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 31366-95-7

    2. P-tert-amylphenol Sodium Salt

    3. Sodium 4-(2-methylbutan-2-yl)phenolate

    4. 4-(1,1-dimethylpropyl)phenol Sodium Salt

    5. Phenol, 4-(1,1-dimethylpropyl)-, Sodium Salt

    6. Olb88wk93s

    7. Sodium;4-(2-methylbutan-2-yl)phenolate

    8. Caswell No. 050b

    9. Phenol, 4-(1,1-dimethylpropyl)-, Sodium Salt (1:1)

    10. Sodium P-tert-amylphenate

    11. Sodium 4-tert-amylphenate

    12. Sodium P-tert-amylphenolate

    13. P-tert-amylphenol, Sodium Salt

    14. Einecs 250-595-8

    15. Unii-olb88wk93s

    16. Epa Pesticide Chemical Code 064112

    17. Schembl2810975

    18. Dtxsid7035725

    19. Sodium 4-tert-amylphenoxide

    20. J278.100j

    21. Sodium 4-(2-methylbutan-2-yl)benzen-1-olate

    22. Sodium 4-(2-methyl-2-butanyl)phenolate

    23. Q27285718

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 186.23 g/mol
    Molecular Formula C11H15NaO
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass186.10205938 g/mol
    Monoisotopic Mass186.10205938 g/mol
    Topological Polar Surface Area23.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity137
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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