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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

CAS 25148-68-9
1 2D Structure

CAS 25148-68-9

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

BUILDING BLOCK

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