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    European CDMO and Gx manufacturer with 75 years of experience in delivering premium APIs to pharmaceutical partners worldwide.

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    Chemistry

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    Also known as: Premethadone, 125-79-1, 4-(dimethylamino)-2,2-diphenylpentanenitrile, Didiavalo, Methadone intermediate, 4-dimethylamino-2,2-diphenylvaleronitrile
    Molecular Formula
    C19H22N2
    Molecular Weight
    278.4  g/mol
    InChI Key
    GJJQIGFCGLPOQK-UHFFFAOYSA-N
    FDA UNII
    0GYB2HJA89
    CAS 125-79-1
    1 2D Structure

    CAS 125-79-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(dimethylamino)-2,2-diphenylpentanenitrile
    2.1.2 InChI
    InChI=1S/C19H22N2/c1-16(21(2)3)14-19(15-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14H2,1-3H3
    2.1.3 InChI Key
    GJJQIGFCGLPOQK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    0GYB2HJA89
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Premethadone

    2. 125-79-1

    3. 4-(dimethylamino)-2,2-diphenylpentanenitrile

    4. Didiavalo

    5. Methadone Intermediate

    6. 4-dimethylamino-2,2-diphenylvaleronitrile

    7. 2,2-diphenyl-4-(dimethylamino)valeronitrile

    8. 2,2-diphenyl-4-dimethylaminovaleronitrile

    9. 0gyb2hja89

    10. Nsc-2089

    11. Nsc-50382

    12. Ncgc00247341-02

    13. 4-cyano-2-dimethylamino-4,4-diphenyl Butane

    14. Valeronitrile,2-diphenyl-

    15. Valeronitrile, 4-(dimethylamino)-2,2-diphenyl-

    16. (4rs)-4-(dimethylamino)-2,2-diphenylpentanenitrile

    17. Premethadon

    18. Benzeneacetonitrile, .alpha.-[2-(dimethylamino)propyl]-.alpha.-phenyl-

    19. Methadon-zwischenprodukt

    20. Nsc 2089

    21. Unii-0gyb2hja89

    22. Benzeneacetonitrile, .alpha.-(2-(dimethylamino)propyl)-.alpha.-phenyl-

    23. Nsc2089

    24. (4rs)-4-(dimethylamino)-2,2-diphenylpentanenitrile (didiavalo; Premethadone; Methadone Nitrile)

    25. 2,2-diphenyl-4-dimethylaminopentanenitrile

    26. Einecs 204-755-9

    27. Einecs 278-172-3

    28. Dsstox_cid_28838

    29. Dsstox_rid_83107

    30. Methadone-intermediate

    31. Dsstox_gsid_48912

    32. (1)-4-(dimethylamino)-2,2-diphenylpentanonitrile

    33. Mls002320724

    34. Schembl504205

    35. Ids-nm-003

    36. Dea No. 9254

    37. Chembl2362721

    38. Didiavalo, (+/-)-

    39. Dtxsid1048912

    40. Benzeneacetonitrile, A-[2-(dimethylamino)propyl]-a-phenyl-

    41. Hms2272j04

    42. Nsc50382

    43. Tox21_112859

    44. Benzeneacetonitrile, Alpha-(2-(dimethylamino)propyl)-alpha-phenyl-

    45. Mfcd00068847

    46. Akos025392613

    47. Bs-5037

    48. Ncgc00247341-01

    49. 75281-86-6

    50. Cas-125-79-1

    51. Smr001338870

    52. 4-dimethylamino-2,2-diphenylpentanenitrile

    53. 4-cyano-2-dimethylamino-4,4-diphenylbutane

    54. 4-(dimethylamino)-2,2-diphenylpentanenitrile #

    55. (+/-)-4-dimethylamino-2,2-diphenylvaleronitrile

    56. Q12470029

    57. Methadone Hydrochloride Impurity B [ep Impurity]

    58. Levomethadone Hydrochloride Impurity B [ep Impurity]

    59. 4-cyano-2-dimethylamino-4,4-diphenylbutane (methadone-intermediate)

    60. Methadone-intermediate, 4-cyano-2-dimethylamino-4,4-diphenyl Butane

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 278.4 g/mol
    Molecular Formula C19H22N2
    XLogP33.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass278.178298710 g/mol
    Monoisotopic Mass278.178298710 g/mol
    Topological Polar Surface Area27 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity335
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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