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    CAS 61990-51-0

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 61990-51-0, 1-(dimethylamino)propan-2-ol with 4-acetamidobenzoate, Dimepranol acedoben (usan), Dimepranol acedoben [usan], 4-acetamidobenzoic acid;1-(dimethylamino)propan-2-ol, 1v339imq38
    Molecular Formula
    C14H22N2O4
    Molecular Weight
    282.34  g/mol
    InChI Key
    FJFQBKRMSCKTSE-UHFFFAOYSA-N
    FDA UNII
    1V339IMQ38
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-acetamidobenzoic acid;1-(dimethylamino)propan-2-ol
    2.1.2 InChI
    InChI=1S/C9H9NO3.C5H13NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(7)4-6(2)3/h2-5H,1H3,(H,10,11)(H,12,13);5,7H,4H2,1-3H3
    2.1.3 InChI Key
    FJFQBKRMSCKTSE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    1V339IMQ38
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-(acetylamino)benzoic Acid-1-(dimethylamino)-2-propanol

    2. 4-abdap

    3. N,n-dimethylaminoisopropanol-4-acetamidobenzoate

    2.3.2 Depositor-Supplied Synonyms

    1. 61990-51-0

    2. 1-(dimethylamino)propan-2-ol With 4-acetamidobenzoate

    3. Dimepranol Acedoben (usan)

    4. Dimepranol Acedoben [usan]

    5. 4-acetamidobenzoic Acid;1-(dimethylamino)propan-2-ol

    6. 1v339imq38

    7. 4-(acetylamino)benzoic Acid-1-(dimethylamino)-2-propanol

    8. 4-acetamidobenzoic Acid, Compound With 1-(dimethylamino)propan-2-ol

    9. 4-acetamidobenzoic Acid, Compound With 1-(dimethylamino)propan-2-ol (1:1)

    10. Dimepranol Related Compound (n,n-dimethylamino-2-propanol P-acetamido Benzoic Acid)

    11. Schembl668230

    12. Unii-1v339imq38

    13. 4-acetamidobenzoic Acid,1-(dimethylamino)propan-2-ol

    14. Dtxsid90977530

    15. Nsc59001

    16. Einecs 263-361-5

    17. Mfcd00867576

    18. Nsc-59001

    19. Dimepranol-4-acetamidobenzoate

    20. 4-acetamidobenzoic Acid, Compound With 1-(dimethylamino)propan-2-ol (1

    21. Akos030228580

    22. Ds-9456

    23. Cs-0186651

    24. D03836

    25. N,n-dimethylaminoisopropanol-4-acetamidobenzoate

    26. A868585

    27. Q27252931

    28. (+-)-1-(dimethylamino)-2-propanol, P-acetamidobenzoate (salt)

    29. (+/-)-1-(dimethylamino)-2-propanol, P-acetamidobenzoate (salt)

    30. 2-propanol, 1-(dimethylamino)-, (+-)-, 4-(acetylamino)benzoate (salt)

    31. 2-propanol, 1-(dimethylamino)-, (+/-)-, 4-(acetylamino)benzoate (salt)

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 282.34 g/mol
    Molecular Formula C14H22N2O4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass282.15795719 g/mol
    Monoisotopic Mass282.15795719 g/mol
    Topological Polar Surface Area89.9 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity252
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2