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    CAS 101-98-4

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    CAS 101-98-4
    Also known as: 101-98-4, 2-(benzyl(methyl)amino)ethanol, 2-[benzyl(methyl)amino]ethanol, Ethanol, 2-[methyl(phenylmethyl)amino]-, 2-(benzylmethylamino)ethanol, N-methyl-n-benzylethanolamine
    Molecular Formula
    C10H15NO
    Molecular Weight
    165.23  g/mol
    InChI Key
    WOUANPHGFPAJCA-UHFFFAOYSA-N
    FDA UNII
    61LYX8089C
    1 2D Structure

    CAS 101-98-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[benzyl(methyl)amino]ethanol
    2.1.2 InChI
    InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
    2.1.3 InChI Key
    WOUANPHGFPAJCA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(CCO)CC1=CC=CC=C1
    2.2 Other Identifiers
    2.2.1 UNII
    61LYX8089C
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 101-98-4

    2. 2-(benzyl(methyl)amino)ethanol

    3. 2-[benzyl(methyl)amino]ethanol

    4. Ethanol, 2-[methyl(phenylmethyl)amino]-

    5. 2-(benzylmethylamino)ethanol

    6. N-methyl-n-benzylethanolamine

    7. Ethanol, 2-(benzylmethylamino)-

    8. Ethanol, 2-(methyl(phenylmethyl)amino)-

    9. N-benzyl-n-methyl-ethanolamine

    10. 2-(benzyl-methyl-amino)-ethanol

    11. N-benzyl-n-methyl-2-aminoethanol

    12. 61lyx8089c

    13. 2-(n-benzyl-n-methylamino)ethanol

    14. 2-[methyl(phenylmethyl)amino]ethanol

    15. Mfcd00002847

    16. 2-[n-benzyl-n-methylamino]ethanol

    17. Unii-61lyx8089c

    18. N-benzyl-n-methyl-n-ethanolamine

    19. Einecs 202-994-3

    20. 2-[benzyl(methyl)amino]ethan-1-ol

    21. Nmnbea

    22. Ai3-26797

    23. N-benzyl-n-methylethanolamne

    24. 2-(methylbenzylamino)ethanol

    25. Schembl135868

    26. N-benzyl-n-methyl Ethanolamine

    27. N-benzyl-n-methyl Ethanol Amine

    28. Dtxsid5059242

    29. Zinc389763

    30. 2-(n-benzyl-n-methylamino)-ethanol

    31. Akos009058975

    32. 2-(n-benzyl-n-methylamino)ethan-1-ol

    33. Ac-5627

    34. Cs-w023196

    35. Sb76028

    36. N-(2-hydroxyethyl)-n-benzyl-methylamine

    37. Ds-18032

    38. Sy025492

    39. Db-000319

    40. Ft-0689183

    41. .beta.-(n-benzyl-n-methylamino)ethanol

    42. D70360

    43. N-benzyl-n-methyl-ethanolamine [usp-rs]

    44. J-000530

    45. J-523483

    46. N-benzyl-n-methylethanolamine, Technical Grade, 90%

    47. Q27263356

    48. Z137706074

    49. N-benzyl-n-methylethanolamine, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 165.23 g/mol
    Molecular Formula C10H15NO
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass165.115364102 g/mol
    Monoisotopic Mass165.115364102 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity110
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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