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    Technical details about CAS 20850-49-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 20850-49-1

    BUILDING BLOCK

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    2D Structure
    Also known as: 20850-49-1, 3-methyl-2-(3,4-dimethoxyphenyl)butyronitrile, 2-(3,4-dimethoxyphenyl)-3-methylbutyronitrile, 1z42yug42k, Alpha-isopropylhomoveratronitrile, (2rs)-2-(3,4-dimethoxyphenyl)-3-methylbutanenitrile
    Molecular Formula
    C13H17NO2
    Molecular Weight
    219.28  g/mol
    InChI Key
    NFXAXMOAVPLEBH-UHFFFAOYSA-N
    FDA UNII
    1Z42YUG42K
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3,4-dimethoxyphenyl)-3-methylbutanenitrile
    2.1.2 InChI
    InChI=1S/C13H17NO2/c1-9(2)11(8-14)10-5-6-12(15-3)13(7-10)16-4/h5-7,9,11H,1-4H3
    2.1.3 InChI Key
    NFXAXMOAVPLEBH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C#N)C1=CC(=C(C=C1)OC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    1Z42YUG42K
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 20850-49-1

    2. 3-methyl-2-(3,4-dimethoxyphenyl)butyronitrile

    3. 2-(3,4-dimethoxyphenyl)-3-methylbutyronitrile

    4. 1z42yug42k

    5. Alpha-isopropylhomoveratronitrile

    6. (2rs)-2-(3,4-dimethoxyphenyl)-3-methylbutanenitrile

    7. 2-(3,4-dimethoxyphenyl)-2-isopropylacetonitrile

    8. 3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile

    9. Benzeneacetonitrile, 3,4-dimethoxy-.alpha.-(1-methylethyl)-

    10. (2rs)-2-(3,4-dimethoxyphenyl)-3-methylbutanenitrile; Verapamil Hydrochloride Imp. K (ep); Verapamil Imp. K (ep); Verapamil Hydrochloride Impurity K; Verapamil Impurity K

    11. Maybridge3_001601

    12. Isopropyl Veratryl Cyanide

    13. 2-(3,4-dimethoxyphenyl)-3-methylbutylnitrile

    14. 2-(3,4-dimethoxyphenyl)-3-methyl-butanenitrile

    15. Unii-1z42yug42k

    16. 2-(3,4-dimethoxy-phenyl)-3-methyl-butyronitrile

    17. Oprea1_171110

    18. Alpha-isopropylveratryl Cyanide

    19. 3,4-dimethoxy-?-(1-methylethyl)benzeneacetonitrile

    20. Alpha-isopropyl-veratryl Cyanide

    21. Schembl1640618

    22. Dtxsid60864963

    23. Hms1435i17

    24. Einecs 244-082-8

    25. Bbl029021

    26. Mfcd00800230

    27. Stk525022

    28. Akos005111167

    29. Ac-1453

    30. As-5254

    31. Idi1_012988

    32. .alpha.-isopropylveratryl Cyanide

    33. Ncgc00261982-01

    34. .alpha.-isopropylhomoveratronitrile

    35. Alpha-isopropyl-3,4-dimethoxybenzylcyanid

    36. Cs-0154333

    37. Ft-0638052

    38. Ec 244-082-8

    39. F19530

    40. Alpha-isopropyl-3,4-dimethoxybenzeneacetonitrile

    41. 2-(3',4'-dimethoxyphenyl)-3-methylbutyronitrile

    42. 2-(3,4-dimethoxyphenyl)-3-methylbutanenitrile #

    43. A814972

    44. Isopropyl(3,4-dimethoxyphenyl)acetonitrile

    45. Ritalinic Acid/alpha-phenylpiperidine-2-acetic Acid

    46. W-107588

    47. Brd-a05566309-001-01-8

    48. Q27253290

    49. Verapamil Hydrochloride Impurity K [ep Impurity]

    50. (+/-)-2-(i-propyl)-2-(3,4-dimethoxyphenyl)acetonitrile

    51. 3,4-dimethoxy- Alpha -(1-methylethyl)benzeneacetonitrile

    52. Benzeneacetonitrile, 3,4-dimethoxy-alpha-(1-methylethyl)-

    53. Verapamil Hydrochloride Imp. K (ep): (2rs)-2-(3,4-di

    54. (+/-)-2-(3,4-dimethoxyphenyl)-3-methylbutanenitrile

    55. 3,4-dimethoxy-.alpha.-(1-methylethyl)benzeneacetonitrile

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 219.28 g/mol
    Molecular Formula C13H17NO2
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area42.2
    Heavy Atom Count16
    Formal Charge0
    Complexity256
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1