CAS-100-15-2

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 15 Related Intermediates

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1 End Use APIs
15 Related Intermediates

Chemistry

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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

CAS 100-15-2

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 Formula	C₇H₈N₂O₂
Molecular Weight	152.15 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	57.8
Heavy Atom Count	11
Formal Charge	0
Complexity	136
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