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2D Structure
Also known as: 100-15-2, Benzenamine, n-methyl-4-nitro-, N-methyl-p-nitroaniline, 4-nitro-n-methylaniline, N-methyl-p-nitraniline, P-(methylamino)nitrobenzene
Molecular Formula
C7H8N2O2
Molecular Weight
152.15  g/mol
InChI Key
XIFJZJPMHNUGRA-UHFFFAOYSA-N
FDA UNII
J836WLV9BW

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-methyl-4-nitroaniline
2.1.2 InChI
InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
2.1.3 InChI Key
XIFJZJPMHNUGRA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC1=CC=C(C=C1)[N+](=O)[O-]
2.2 Other Identifiers
2.2.1 UNII
J836WLV9BW
2.3 Synonyms
2.3.1 MeSH Synonyms

1. N-methyl-p-nitroaniline

2. N-methyl-para-nitroaniline

2.3.2 Depositor-Supplied Synonyms

1. 100-15-2

2. Benzenamine, N-methyl-4-nitro-

3. N-methyl-p-nitroaniline

4. 4-nitro-n-methylaniline

5. N-methyl-p-nitraniline

6. P-(methylamino)nitrobenzene

7. N-monomethyl-p-nitroaniline

8. Aniline, N-methyl-p-nitro-

9. P-nitro-n-methylaniline

10. Nsc 5390

11. N-methyl-4-nitrobenzenamine

12. N-methyl-4-nitro-aniline

13. J836wlv9bw

14. Dtxsid7025635

15. Nsc-5390

16. 4-methylaminonitrobenzene

17. Einecs 202-823-2

18. Methyl(4-nitrophenyl)amine

19. 4-(methylamino)nitrobenzene

20. Nitronaniline

21. Ai3-08826

22. Nsc5390

23. Mfcd00007305

24. 4-methylamino-nitrobenzene

25. Unii-j836wlv9bw

26. Ec 202-823-2

27. Methyl-4-nitroaniline, N-

28. N-methyl(4-nitrophenyl)amine

29. (4-nitro-phenyl)-methylamine

30. Mls002415758

31. P-(n-methylamino)nitrobenzene

32. Schembl177790

33. Dtxcid605635

34. Methyl-(4-nitro-phenyl)-amine

35. Chembl1329734

36. N-methyl-4-nitroaniline, 97%

37. Schembl12707572

38. N-(4-nitrophenyl)-n-methylamine

39. Hms3039b06

40. N-(4-nitrophenyl)-n-methylaniline

41. Amy40126

42. Bcp04516

43. Str06194

44. Zinc3860557

45. Tox21_200001

46. N-methyl-n-(4-nitrophenyl)amine #

47. Akos002312303

48. Ps-4951

49. Ncgc00091370-01

50. Ncgc00091370-02

51. Ncgc00257555-01

52. Cas-100-15-2

53. Smr001370918

54. Db-003080

55. Cs-0011554

56. Ft-0629710

57. M1011

58. A800059

59. Ac-907/25014172

60. W-109374

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 152.15 g/mol
Molecular Formula C7H8N2O2
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area57.8
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1