CAS 873-74-5

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2 End Use APIs
123 Related Intermediates

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Also known as: 873-74-5, 4-cyanoaniline, P-aminobenzonitrile, P-cyanoaniline, Benzonitrile, 4-amino-, Benzonitrile, p-amino-

Molecular Formula

C₇H₆N₂

Molecular Weight

118.14 g/mol

InChI Key

YBAZINRZQSAIAY-UHFFFAOYSA-N

FDA UNII

PB8V69Y76T

1 2D Structure

CAS 873-74-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-aminobenzonitrile

2.1.2 InChI

InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2

2.1.3 InChI Key

YBAZINRZQSAIAY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C#N)N

2.2 Other Identifiers

2.2.1 UNII

PB8V69Y76T

2.3 Synonyms

2.3.1 MeSH Synonyms

1. P-aminobenzonitrile

2. Para-aminobenzonitrile

2.3.2 Depositor-Supplied Synonyms

1. 873-74-5

2. 4-cyanoaniline

3. P-aminobenzonitrile

4. P-cyanoaniline

5. Benzonitrile, 4-amino-

6. Benzonitrile, P-amino-

7. 1-amino-4-cyanobenzene

8. Aniline, P-cyano-

9. 4-amino-benzonitrile

10. P-cyanophenylamine

11. Mfcd00007821

12. 4-amino Benzonitrile

13. Pb8v69y76t

14. Nsc-7625

15. 4-amino-benzonitril

16. Nsc 7625

17. Einecs 212-850-1

18. Brn 0774507

19. Unii-pb8v69y76t

20. P-cyanoaniiine

21. Ai3-24185

22. 4-cyanoanilin

23. 4-cyano Aniline

24. 4-aminobezonitrile

25. Akos B029065

26. 4-aminobenonitrile

27. 4-cyanobenzenamine

28. 4-cyanophenylamine

29. 4-cyanobenzeneamine

30. 4-cyano-phenylamine

31. 4-cyanophenyl Amine

32. P-amino Benzonitrile

33. 4-aminophenylnitrile

34. 4-aminobenzenenitrile

35. Cyanoaniline, P-

36. Wln: Zr Dcn

37. 4-azanylbenzenecarbonitrile

38. 4-aminobenzonitrile, 98%

39. Schembl55548

40. 4-14-00-01158 (beilstein Handbook Reference)

41. Dtxsid0061240

42. Nsc7625

43. Zinc152697

44. Act08059

45. Bcp04531

46. Cs-d1531

47. Benzoic Acid,4-amino,nitrile

48. Stk080905

49. Akos000119675

50. Ps-6161

51. Bp-21363

52. Db-006652

53. A0695

54. Am20060059

55. Ft-0601337

56. 4-diazo-n,n-diethylanilinefluoroborate

57. S12319

58. A842114

59. Ac-907/34118024

60. W-104029

61. Q27286445

62. Z57073771

63. F5608-0079

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₆N₂
Molecular Weight	118.14 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	118.053098200 g/mol
Monoisotopic Mass	118.053098200 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	125
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