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    CAS 153259-31-5

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 153259-31-5, 2-chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine hydrochloride, 2-chloromethyl-4-methoxypropoxy-3-methylpyridine hydrochloride, 2-chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride, 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride, Mfcd06658231
    Molecular Formula
    C11H17Cl2NO2
    Molecular Weight
    266.16  g/mol
    InChI Key
    MNVYUQSFAJMSCS-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H16ClNO2.ClH/c1-9-10(8-12)13-5-4-11(9)15-7-3-6-14-2;/h4-5H,3,6-8H2,1-2H3;1H
    2.1.3 InChI Key
    MNVYUQSFAJMSCS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CN=C1CCl)OCCCOC.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 153259-31-5

    2. 2-chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine Hydrochloride

    3. 2-chloromethyl-4-methoxypropoxy-3-methylpyridine Hydrochloride

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

    5. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine;hydrochloride

    6. Mfcd06658231

    7. 2-chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine, Hcl

    8. 4-(3-methoxypropoxy)-2-(chloromethyl)-3-methylpyridine Hydrochlorid

    9. 2-chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine Hcl

    10. Schembl2781673

    11. Dtxsid50596322

    12. Act01508

    13. Bcp12263

    14. 2-chloromethyl-3-methyl-4-(3-methoxy Propoxy)pyridine Hydrochloride

    15. 2-chloromethyl-3-methyl-4-(3-methoxypropanoxy)pyridine Hydrochloride

    16. Akos015891520

    17. Ac-4558

    18. Ac-8345

    19. Am84488

    20. Cs-w021431

    21. Ds-1446

    22. Bl009616

    23. Sy023611

    24. Db-020941

    25. Ft-0643501

    26. 259c315

    27. J-008994

    28. Q-200145

    29. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hcl

    30. 2-chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy) Pyridine Hcl

    31. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride (1:1)

    32. 2-chloromethyl-3-methyl-4-(3-meyhoxylpropanoxyl)pyridine Hydrochloride

    33. 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine--hydrogen Chloride (1/1)

    34. 2-chloromethyl-4-(3-methoxy-propoxy)-3-methyl-pyridine; Hydrochloride;2-chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine Hcl

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 266.16 g/mol
    Molecular Formula C11H17Cl2NO2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass265.0636342 g/mol
    Monoisotopic Mass265.0636342 g/mol
    Topological Polar Surface Area31.4 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity169
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2