CAS 93-17-4

Chemistry, 9 End Use API, 51 Related Intermediates

Manufacturers/Suppliers

9 Suppliers

9 Suppliers

Also known as: 93-17-4, (3,4-dimethoxyphenyl)acetonitrile, Homoveratronitrile, 3,4-dimethoxybenzyl cyanide, 2-(3,4-dimethoxyphenyl)acetonitrile, Veratryl cyanide

Molecular Formula

C₁₀H₁₁NO₂

Molecular Weight

177.20 g/mol

InChI Key

ASLSUMISAQDOOB-UHFFFAOYSA-N

FDA UNII

62C8S706SP

1 2D Structure

CAS 93-17-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3,4-dimethoxyphenyl)acetonitrile

2.1.2 InChI

InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3

2.1.3 InChI Key

ASLSUMISAQDOOB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)CC#N)OC

2.2 Other Identifiers

2.2.1 UNII

62C8S706SP

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 93-17-4

2. (3,4-dimethoxyphenyl)acetonitrile

3. Homoveratronitrile

4. 3,4-dimethoxybenzyl Cyanide

5. 2-(3,4-dimethoxyphenyl)acetonitrile

6. Veratryl Cyanide

7. 3,4-dimethoxybenzeneacetonitrile

8. Benzeneacetonitrile, 3,4-dimethoxy-

9. Nsc 6324

10. Mfcd00001911

11. Acetonitrile, (3,4-dimethoxyphenyl)-

12. 3,4-dimethoxyphenyl Acetonitrile

13. 3,4-dimethoxy Phenylacetonitrile

14. 62c8s706sp

15. Nsc-6324

16. 2-(3,4-dimethoxyphenyl)-acetonitrile

17. Einecs 202-225-1

18. Acetonitrile, 3,4-(dimethoxyphenyl)-

19. Brn 1956100

20. Unii-62c8s706sp

21. Ai3-23882

22. Acetonitrile, 3,4-dimethoxyphenyl-

23. 2-(3,4-dimethoxyphenyl)ethanenitrile

24. Ec 202-225-1

25. Oprea1_832287

26. Schembl77974

27. 3,4-dimethoxy-benzyl Cyanide

28. 4-10-00-01513 (beilstein Handbook Reference)

29. Wln: Nc1r Co1 Do1

30. 3,4-dimethoxyphenylacetonitirle

31. 3.4-dimethoxyphenylacetonitrile

32. Iflab1_000888

33. 3,4-dimethyoxyphenylacetonitrile

34. Benzeneacetonitrile,4-dimethoxy-

35. 3,4-di Methoxyphenylacetonitrile

36. 3,4-dimethoxyphenyl-acetonitrile

37. Acetonitrile,4-dimethoxyphenyl)-

38. Aslsumisaqdoob-uhfffaoysa-

39. (3,4-dimethoxyphenyl)acetonirile

40. Dtxsid30239220

41. Nsc6324

42. 3,4-dimethoxy-phenyl-acetonitrile

43. 3,4-(dimethoxyphenyl)acetonitrile

44. 3,4-dimethoxy Phenyl Acetonitrile

45. Acetonitrile,4-(dimethoxyphenyl)-

46. Hms1414i08

47. Zinc155251

48. (3,4-dimethoxyphenyl)-acetonitrile

49. Albb-010707

50. (3,4-dimethoxy-phenyl)-acetonitrile

51. Bbl036932

52. Stl195409

53. 2-(3,4-dimethoxyphenyl) Acetonitrile

54. Akos000199051

55. Gs-3047

56. [3,4-bis(methyloxy)phenyl]acetonitrile

57. (3,4-dimethoxyphenyl)acetonitrile, 98%

58. Sy012004

59. 3,4-methyleneoxyphenyl Acetonitrile

60. Am20050420

61. Bb 0240981

62. Cs-0008419

63. D1887

64. Ft-0614353

65. Homoveratronitrile, Purum, >=98.0% (gc)

66. W-100249

67. (3,4-dimethoxyphenyl)acetonitrile(homoveratronitrile)

68. Q27263471

69. F0255-0021

70. Z1262254379

71. 2-(2-chloro-acetylamino)-4-(3,4-dimethoxy-phenyl)-thiophene-3-carboxylicacidethylester

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁NO₂
Molecular Weight	177.20 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	177.078978594 g/mol
Monoisotopic Mass	177.078978594 g/mol
Topological Polar Surface Area	42.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	196
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1