CAS 20850-49-1 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
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

CAS 20850-49-1
1 2D Structure

CAS 20850-49-1

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

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty