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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 873055-58-4, 5-amino-2,4-ditert-butylphenol, 5-amino-2,4-di-tert-butyl-phenol, Phenol, 5-amino-2,4-bis(1,1-dimethylethyl)-, 8vr88q6fav, 5-amino-2,4-di-tert-butyl phenol
    Molecular Formula
    C14H23NO
    Molecular Weight
    221.34  g/mol
    InChI Key
    BKSDHPHOWDUJNB-UHFFFAOYSA-N
    FDA UNII
    8VR88Q6FAV
    CAS 873055-58-4
    1 2D Structure

    CAS 873055-58-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-amino-2,4-ditert-butylphenol
    2.1.2 InChI
    InChI=1S/C14H23NO/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,16H,15H2,1-6H3
    2.1.3 InChI Key
    BKSDHPHOWDUJNB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C1=CC(=C(C=C1N)O)C(C)(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    8VR88Q6FAV
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 873055-58-4

    2. 5-amino-2,4-ditert-butylphenol

    3. 5-amino-2,4-di-tert-butyl-phenol

    4. Phenol, 5-amino-2,4-bis(1,1-dimethylethyl)-

    5. 8vr88q6fav

    6. 5-amino-2,4-di-tert-butyl Phenol

    7. 5-amino-2,4-bis(1,1-dimethylethyl)phenol

    8. Unii-8vr88q6fav

    9. Schembl396873

    10. Dtxsid40657693

    11. Amy40455

    12. Bcp11758

    13. Yjb05558

    14. Mfcd11052607

    15. Sb17738

    16. As-41569

    17. Cs-0009369

    18. Ec-000.2110

    19. A862684

    2.4 Create Date
    2009-08-26
    3 Chemical and Physical Properties
    Molecular Weight 221.34 g/mol
    Molecular Formula C14H23NO
    XLogP34.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area46.2
    Heavy Atom Count16
    Formal Charge0
    Complexity236
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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