CAS 2044-88-4

Chemistry, 1 End Use API, 6 Related Intermediates

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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

CAS 2044-88-4

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 Formula	C₇H₇N₃O₄
Molecular Weight	197.15 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	197.04365571 g/mol
Monoisotopic Mass	197.04365571 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	234
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

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CAS Number

2044-88-4

Intermediate Name

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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