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    CAS 38585-62-5

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 38585-62-5, 4-methyl-5-imidazolemethanol hydrochloride, 4-hydroxymethyl-5-methylimidazole hydrochloride, (5-methyl-1h-imidazol-4-yl)methanol hydrochloride, 4-methylimidazol-5-ylmethanolhydrochloride, 4-methyl-5-imidazolemethanol hcl
    Molecular Formula
    C5H9ClN2O
    Molecular Weight
    148.59  g/mol
    InChI Key
    UBHDUFNPQJWPRQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5-methyl-1H-imidazol-4-yl)methanol;hydrochloride
    2.1.2 InChI
    InChI=1S/C5H8N2O.ClH/c1-4-5(2-8)7-3-6-4;/h3,8H,2H2,1H3,(H,6,7);1H
    2.1.3 InChI Key
    UBHDUFNPQJWPRQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(N=CN1)CO.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 38585-62-5

    2. 4-methyl-5-imidazolemethanol Hydrochloride

    3. 4-hydroxymethyl-5-methylimidazole Hydrochloride

    4. (5-methyl-1h-imidazol-4-yl)methanol Hydrochloride

    5. 4-methylimidazol-5-ylmethanolhydrochloride

    6. 4-methyl-5-imidazolemethanol Hcl

    7. 4-methyl-5-hydroxymethylimidazole Hydrochloride

    8. (5-methyl-1h-imidazol-4-yl)methanol;hydrochloride

    9. 4-methyl-5-hydroxymethylimidazole, Hcl

    10. 1h-imidazole-4-methanol, 5-methyl-, Monohydrochloride

    11. 5-methyl-4-hydroxymethylimidazole Hydrochloride

    12. Mfcd00040986

    13. 4-methyl-(5-hydroxymethyl)imidazole Hydrochloride

    14. 5-hydroxymethyl-4-methylimidazole Hydrochloride

    15. 1h-imidazole-5-methanol, 4-methyl-, Hydrochloride (1:3)

    16. 91323-13-6

    17. 4-(hydroxymethyl)-5-methylimidazole Hydrochloride

    18. Einecs 254-021-7

    19. 5-hydroxymethyl-4-methylimidazole Hcl

    20. 5-methyl-4-hydroxymethyl Imidazole Hcl

    21. Schembl917

    22. 4-methyl-5-hydroxymethyl-imidazole Hydrochloride

    23. Dtxsid40191906

    24. 4-methyl-5-imidazolemethanol, Hcl

    25. Act08028

    26. Ck2461

    27. Akos005216608

    28. Akos015915543

    29. Ac-7530

    30. Ps-8932

    31. 4-methyl-5-imidazolemethanol Hydrochlirde

    32. Sy007668

    33. A6526

    34. Am20100024

    35. Cs-0005784

    36. Ft-0618718

    37. H0625

    38. En300-24274

    39. 4-methyl-5-imidazolemethanol Hydrochloride, 97%

    40. (4-methyl-1h-imidazol-5-yl)methanolhydrochloride

    41. W-106477

    42. Z210803814

    43. (5-methyl-3h-imidazol-4-yl)-methanol; Hydrochloride;4-methyl-5-imidazolemethanol Hydrochloride

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 148.59 g/mol
    Molecular Formula C5H9ClN2O
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass148.0403406 g/mol
    Monoisotopic Mass148.0403406 g/mol
    Topological Polar Surface Area48.9 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity76.8
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2