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Technical details about 1-O-Tolylbiguanide, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 93-69-6, O-tolylbiguanide, O-tolyl biguanide, 1-o-tolylbiguanide, 2-tolylbiguanide, Sopanox
Molecular Formula
C9H13N5
Molecular Weight
191.23  g/mol
InChI Key
SQZCAOHYQSOZCE-UHFFFAOYSA-N
FDA UNII
5T9Z06LCV4

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
2.1.2 InChI
InChI=1S/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
2.1.3 InChI Key
SQZCAOHYQSOZCE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=CC=C1N=C(N)N=C(N)N
2.2 Other Identifiers
2.2.1 UNII
5T9Z06LCV4
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-tolylbiguanide

2. 2-tolylbiguanide Monohydrochloride

3. Ortho-tolylbiguanide

2.3.2 Depositor-Supplied Synonyms

1. 93-69-6

2. O-tolylbiguanide

3. O-tolyl Biguanide

4. 1-o-tolylbiguanide

5. 2-tolylbiguanide

6. Sopanox

7. Aliant

8. O-tolyldiguanide

9. Vulkacit 1000

10. Nocceler Bg

11. Eponoc B

12. N-(2-methylphenyl)imidodicarbonimidic Diamide

13. Imidodicarbonimidic Diamide, N-(2-methylphenyl)-

14. Biguanide, 1-o-tolyl-

15. Nsc 164906

16. 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine

17. 5t9z06lcv4

18. Mfcd00019731

19. Nsc-164906

20. Einecs 202-268-6

21. Brn 0612193

22. Unii-5t9z06lcv4

23. Dimotol

24. A-o-tolyl-biguanid

25. Otbg

26. 1-(o-tolyl) Biguanide

27. Maybridge4_003206

28. Ec 202-268-6

29. Imidodicarbonimidic Diamide, N-(methylphenyl)-

30. Dsstox_cid_22051

31. Dsstox_rid_79906

32. Dsstox_gsid_42051

33. Schembl38790

34. 1-carbamimidamido-n-(2-methylphenyl)methanimidamide

35. 147140-65-6

36. 1-(o-tolyl)biguanide, 98%

37. Chembl3183356

38. Dtxsid3042051

39. Schembl14879645

40. Schembl19038554

41. Sqzcaohyqsozce-uhfffaoysa-

42. 1-o-tolylbiguanide [ii]

43. O-tolyl Biguanide [inci]

44. Albb-022019

45. Nsc51980

46. Zinc3875632

47. Tox21_301315

48. Nsc-51980

49. Nsc164906

50. Stk102789

51. Akos001011970

52. Cas-93-69-6

53. Ncgc00255718-01

54. Ls-06768

55. Db-057421

56. Cs-0152951

57. Ft-0605844

58. T0314

59. En300-59645

60. E76531

61. W-100231

62. Brd-k61920698-003-01-1

63. Q27262844

64. F3297-0020

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 191.23 g/mol
Molecular Formula C9H13N5
XLogP30.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass191.11709544 g/mol
Monoisotopic Mass191.11709544 g/mol
Topological Polar Surface Area103 Ų
Heavy Atom Count14
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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