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(4RS)-4-(Dimethylamino)-2,2-diphenylpentanenitrile
PharmaCompass
  • Chemistry
(4RS)-4-(Dimethylamino)-2,2-diphenylpentanenitrile
Also known as: Premethadone, 125-79-1, 4-(dimethylamino)-2,2-diphenylvaleronitrile, 4-(dimethylamino)-2,2-diphenylpentanenitrile, 2,2-diphenyl-4-dimethylaminovaleronitrile, 2,2-diphenyl-4-(dimethylamino)valeronitrile
Molecular Formula
C19H22N2
Molecular Weight
278.399  g/mol
InChI Key
GJJQIGFCGLPOQK-UHFFFAOYSA-N

1 2D Structure

(4RS)-4-(Dimethylamino)-2,2-diphenylpentanenitrile

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 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Premethadone

2. 125-79-1

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

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

5. 2,2-diphenyl-4-dimethylaminovaleronitrile

6. 2,2-diphenyl-4-(dimethylamino)valeronitrile

7. Nsc 2089

8. 4-dimethylamino-2,2-diphenylvaleronitrile

9. Gjjqigfcglpoqk-uhfffaoysa-n

10. Ncgc00247341-02

11. Valeronitrile,2-diphenyl-

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

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

14. Premethadon

15. Methadone Intermediate

16. Methadon-zwischenprodukt

17. Didiavalo

18. Nsc2089

19. Einecs 204-755-9

20. Einecs 278-172-3

21. Ac1l1lez

22. Dsstox_cid_28838

23. Dsstox_rid_83107

24. Methadone-intermediate

25. Dsstox_gsid_48912

26. (1)-4-(dimethylamino)-2,2-diphenylpentanonitrile

27. Mls002320724

28. Schembl504205

29. Dea No. 9254

30. Chembl2362721

31. Dtxsid1048912

32. Ctk4b4811

33. Hms2272j04

34. Nsc-2089

35. Nsc50382

36. Tox21_112859

37. Acm125791

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

39. Hts000296

40. Nsc 50382

41. Nsc-50382

42. Akos025392613

43. Bs-5037

44. Ncgc00247341-01

45. 75281-86-6

46. Cas-125-79-1

47. Smr001338870

48. 2,2-diphenyl-4-dimethylaminopentanenitrile

49. 4-dimethylamino-2,2-diphenylpentanenitrile

50. 4-cyano-2-dimethylamino-4,4-diphenylbutane

51. Ft-0666267

52. 4-cyano-2-dimethylamino-4,4-diphenyl Butane

53. 4-(dimethylamino)-2,2-diphenylpentanenitrile #

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

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

56. (4rs)-4-(dimethylamino)-2,2-diphenylpentanenitrile

57. Rac-2-despropionyl 2-cyano Methadone(methadone Nitrile)

58. Valeronitrile, 4-(dimethylamino)-2,2-diphenyl- (8ci)

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

60. Benzeneacetonitrile, Alpha-(2-(dimethylamino)propyl)-alpha-phenyl- (9ci)

61. (4rs)-4-(dimethylamino)-2,2-diphenylpentanenitrile (didiavalo; Premethadone; Methadone Nitrile)

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 278.399 g/mol
Molecular Formula C19H22N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass278.178 g/mol
Monoisotopic Mass278.178 g/mol
Topological Polar Surface Area27 A^2
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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