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    CAS 675198-19-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 675198-19-3, [4-(3-methyoxypropoxy)-3-methyl-2-pyridinyl]methanol hydrochloride, (4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methanol hydrochloride, 4-(3-methoxypropoxy)-3-methylpyridine-2-methanol hydrochloride, Mfcd06411171, [4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methanol hydrochloride
    Molecular Formula
    C11H18ClNO3
    Molecular Weight
    247.72  g/mol
    InChI Key
    RDBHROBXRZPIIK-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H17NO3.ClH/c1-9-10(8-13)12-5-4-11(9)15-7-3-6-14-2;/h4-5,13H,3,6-8H2,1-2H3;1H
    2.1.3 InChI Key
    RDBHROBXRZPIIK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CN=C1CO)OCCCOC.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 675198-19-3

    2. [4-(3-methyoxypropoxy)-3-methyl-2-pyridinyl]methanol Hydrochloride

    3. (4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methanol Hydrochloride

    4. 4-(3-methoxypropoxy)-3-methylpyridine-2-methanol Hydrochloride

    5. Mfcd06411171

    6. [4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methanol Hydrochloride

    7. [4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol;hydrochloride

    8. 2-hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride

    9. Dtxsid50639965

    10. Akos015849587

    11. Cs-w010227

    12. Ac-22640

    13. Ds-15919

    14. Sy225932

    15. A9046

    16. F20427

    17. 198m193

    18. (4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methanol Hcl

    19. Methoxypropoxy)-3-methylpyridin-2-yl)methanol Hydrochloride

    20. 4-(3-methoxypropoxy)-2-methylpyridin-3-yl]methanol Hcl

    21. (4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methanolhydrochloride

    22. [4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol,hydrochloride

    23. [4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methanol Hydrochloride (1:1)

    24. [4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol--hydrogen Chloride (1/1)

    25. (4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methanol Hydrochloride;4-(3-methoxypropoxy)-3-methylpyridine-2-methanol Hydrochloride

    2.3 Create Date
    2008-02-29
    3 Chemical and Physical Properties
    Molecular Weight 247.72 g/mol
    Molecular Formula C11H18ClNO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass247.0975211 g/mol
    Monoisotopic Mass247.0975211 g/mol
    Topological Polar Surface Area51.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity166
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2