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2D Structure
Also known as: 25148-68-9, N-methyl-1,2-benzenediamine dihydrochloride, N1-methylbenzene-1,2-diamine dihydrochloride, N-methylbenzene-1,2-diamine dihydrochloride, 1,2-benzenediamine, n-methyl-, dihydrochloride, 2-(methylamino)aniline dihydrochloride
Molecular Formula
C7H12Cl2N2
Molecular Weight
195.09  g/mol
InChI Key
DKEONVNYXODZRQ-UHFFFAOYSA-N
FDA UNII
NML5KQ540I

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-N-methylbenzene-1,2-diamine;dihydrochloride
2.1.2 InChI
InChI=1S/C7H10N2.2ClH/c1-9-7-5-3-2-4-6(7)8;;/h2-5,9H,8H2,1H3;2*1H
2.1.3 InChI Key
DKEONVNYXODZRQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC1=CC=CC=C1N.Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
NML5KQ540I
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 25148-68-9

2. N-methyl-1,2-benzenediamine Dihydrochloride

3. N1-methylbenzene-1,2-diamine Dihydrochloride

4. N-methylbenzene-1,2-diamine Dihydrochloride

5. 1,2-benzenediamine, N-methyl-, Dihydrochloride

6. 2-(methylamino)aniline Dihydrochloride

7. 2-n-methylbenzene-1,2-diamine;dihydrochloride

8. N-methyl-o-phenylenediamine, Dihydrochloride

9. N-methyl-1,2-phenylenediamine Dihydrochloride

10. Nml5kq540i

11. Mfcd00042021

12. 1,2-benzenediamine, N1-methyl-, Hydrochloride (1:2)

13. Einecs 246-655-8

14. Unii-nml5kq540i

15. N-methyl-o-phenylenediamine 2hcl

16. N-methyl-1,2-benzenediaminedihydrochloride

17. 2-(methylamino)aniline 2hcl

18. Schembl159325

19. Dtxsid5025651

20. 2-methylaminoaniline-dihydrochloride

21. Act02819

22. Bcp19652

23. Akos015845016

24. Ac-6278

25. Cs-w015729

26. Ps-8287

27. N-methyl-1,2-benzenediamine 2hcl

28. Db-046636

29. 1-amino-2-methylaminobenzene Dihydrochloride

30. Am20050430

31. Ft-0638497

32. M1754

33. 48m689

34. F12014

35. N-methyl-ortho-phenylenediamine Dihydrochloride

36. N-methyl-1,2-diaminobenzene Dihydrochloride

37. W-107262

38. O-phenylenediamine, N-methyl-, Dihydrochloride

39. Q27284958

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 195.09 g/mol
Molecular Formula C7H12Cl2N2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass194.0377538 g/mol
Monoisotopic Mass194.0377538 g/mol
Topological Polar Surface Area38 Ų
Heavy Atom Count11
Formal Charge0
Complexity83
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3