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2D Structure
Also known as: 2044-88-4, 2,4-dinitro-n-methylaniline, (2,4-dinitro-phenyl)-methyl-amine, Benzenamine, n-methyl-2,4-dinitro-, (2,4-dinitrophenyl)methylamine, Aniline, n-methyl-2,4-dinitro-
Molecular Formula
C7H7N3O4
Molecular Weight
197.15  g/mol
InChI Key
IQEJEZOCXWJNKR-UHFFFAOYSA-N
FDA UNII
YMZ75L8MPZ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-methyl-2,4-dinitroaniline
2.1.2 InChI
InChI=1S/C7H7N3O4/c1-8-6-3-2-5(9(11)12)4-7(6)10(13)14/h2-4,8H,1H3
2.1.3 InChI Key
IQEJEZOCXWJNKR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
2.2 Other Identifiers
2.2.1 UNII
YMZ75L8MPZ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2,4-dinitrophenylmethylamine

2.3.2 Depositor-Supplied Synonyms

1. 2044-88-4

2. 2,4-dinitro-n-methylaniline

3. (2,4-dinitro-phenyl)-methyl-amine

4. Benzenamine, N-methyl-2,4-dinitro-

5. (2,4-dinitrophenyl)methylamine

6. Aniline, N-methyl-2,4-dinitro-

7. 2,4-dinitrophenylmethylamine

8. Ymz75l8mpz

9. N-methyl-2,4-dinitrobenzenamine

10. Nsc-36958

11. N'-methyl-2,4-dinitroaniline

12. N-methyl-2,4-dinitro-aniline

13. Unii-ymz75l8mpz

14. Nsc 36958

15. Einecs 218-062-4

16. Einecs 275-689-6

17. 1-(methylamino)-2,4-dinitrobenzene

18. N-methyl-2,4(or 2,6)-dinitroaniline

19. Ai3-30796

20. Schembl365880

21. Dtxsid80942616

22. 1-methylamino-2,4-dinitrobenzene

23. Nsc36958

24. Zinc4115694

25. Ab3953

26. Bbl034683

27. Mfcd00024399

28. Stl356369

29. Akos000352078

30. N-(2,4-dinitrophenyl)-n-methylamine

31. 71607-48-2

32. As-62064

33. Db-066209

34. Bb 0218044

35. Ft-0671703

36. 044d884

37. Ae-641/30106017

38. J-013332

39. J-523646

40. Q27294598

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 197.15 g/mol
Molecular Formula C7H7N3O4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass197.04365571 g/mol
Monoisotopic Mass197.04365571 g/mol
Topological Polar Surface Area104 Ų
Heavy Atom Count14
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1