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    CAS 139306-10-8

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 139306-10-8, (s)-3-(1-(dimethylamino)ethyl)phenol, 3-[(1s)-1-(dimethylaminoethyl)]phenol, Nap 226-90, Nap-226-90, (s)-3-[1-(dimethylamino)ethyl]phenol
    Molecular Formula
    C10H15NO
    Molecular Weight
    165.23  g/mol
    InChI Key
    GQZXRLWUYONVCP-QMMMGPOBSA-N
    FDA UNII
    1608PLR9ZO
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(1S)-1-(dimethylamino)ethyl]phenol
    2.1.2 InChI
    InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1
    2.1.3 InChI Key
    GQZXRLWUYONVCP-QMMMGPOBSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC(=CC=C1)O)N(C)C
    2.1.5 Isomeric SMILES
    C[C@@H](C1=CC(=CC=C1)O)N(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    1608PLR9ZO
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(1-dimethylaminoethyl)phenol

    2. Nap 226-90

    3. Nap-226-90

    4. Nap226-90

    2.3.2 Depositor-Supplied Synonyms

    1. 139306-10-8

    2. (s)-3-(1-(dimethylamino)ethyl)phenol

    3. 3-[(1s)-1-(dimethylaminoethyl)]phenol

    4. Nap 226-90

    5. Nap-226-90

    6. (s)-3-[1-(dimethylamino)ethyl]phenol

    7. Phenol, 3-[(1s)-1-(dimethylamino)ethyl]-

    8. 3-((1s)-1-(dimethylamino)ethyl)phenol

    9. (s)-3-(1-dimethylaminoethyl)phenol

    10. (-)-3-((1s)-1-(dimethylamino)ethyl)phenol

    11. 1608plr9zo

    12. Phenol, 3-((1s)-1-(dimethylamino)ethyl)-

    13. (s)-3-1(- Dimethylamino)ethylphenol

    14. 3-[(1s)-1-(dimethylamino)ethyl]phenol (dimetol)

    15. Saf

    16. 3-((s)-1-dimethylamino-ethyl)-phenol

    17. Unii-1608plr9zo

    18. Mfcd06656491

    19. 1gqs

    20. (s)-3-1(-dimethylamino)ethylphenol

    21. Rivastigmine Specified Impurity A [ep]

    22. Schembl47340

    23. Rivastigmine Tartrate Impurity, Phenol Impurity- [usp]

    24. Rivastigmine Hydrogen Tartrate Specified Impurity A [ep]

    25. Dtxsid60161005

    26. Act06150

    27. Zinc3591018

    28. (s)-3-1(-dimethylamino)ethyl Phenol

    29. Akos015850730

    30. Rivastigmine Related Compound C

    31. Ac-3489

    32. Db04556

    33. Mg-0726

    34. 3-[(1s)-1-(dimethylamino)ethyl] Phenol

    35. 3-[(1s)-1-(dimethylamino)ethyl]-phenol

    36. Db-001145

    37. Nap226-90 (rivastigmine Ep Impurity A)

    38. Am20080948

    39. Cs-0039885

    40. D4258

    41. Rivastigmine Impurity A [ep Impurity]

    42. Rivastigmine Related Compound C [usp-rs]

    43. 306d108

    44. A1-00312

    45. W-205531

    46. Q27095312

    47. Rivastigmine Related Compound C [usp Impurity]

    48. Rivastigmine Hydrogen Tartrate Impurity A [ep Impurity]

    49. Rivastigmine Tartrate Impurity, Phenol Impurity- [usp Impurity]

    50. (s)-3-(1-(dimethylamino)ethyl)phenol; 3-[(1s)-1-(dimethylamino)ethyl]phenol

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 165.23 g/mol
    Molecular Formula C10H15NO
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass165.115364102 g/mol
    Monoisotopic Mass165.115364102 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity136
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1