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CAS 10045-25-7
PharmaCompass
  • Chemistry
CAS 10045-25-7
Also known as: 10045-25-7, 1,4,7,10-tetraazacyclododecane tetrahydrochloride, Cyclen-4hcl, Unii-51830y7tix, Tetraaza-12-crown-4 tetrahydrochloride, 1,4,7,10-tetraazacyclododecane, tetrahydrochloride
Molecular Formula
C8H24Cl4N4
Molecular Weight
318.108  g/mol
InChI Key
SBWLCGZEBQGYRP-UHFFFAOYSA-N
FDA UNII
51830Y7TIX

1 2D Structure

CAS 10045-25-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,4,7,10-tetrazacyclododecane;tetrahydrochloride
2.1.2 InChI
InChI=1S/C8H20N4.4ClH/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;;/h9-12H,1-8H2;4*1H
2.1.3 InChI Key
SBWLCGZEBQGYRP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CNCCNCCNCCN1.Cl.Cl.Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
51830Y7TIX
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 10045-25-7

2. 1,4,7,10-tetraazacyclododecane Tetrahydrochloride

3. Cyclen-4hcl

4. Unii-51830y7tix

5. Tetraaza-12-crown-4 Tetrahydrochloride

6. 1,4,7,10-tetraazacyclododecane, Tetrahydrochloride

7. Sbb056258

8. 1,4,7,10-tetraazacyclododecane, Hydrochloride (1:4)

9. Ak-32632

10. J-503961

11. 1,4,7,10-tetraazacyclododecanetetrahydrochloride

12. Cyclen Tetrahydrochloride [mi]

13. 1,4,7,10-tetraazacyclododecane, Chloride, Chloride, Chloride, Chloride

14. Cyclen Hcl

15. C8h20n4.4hcl

16. Ksc183o7n

17. Cyclen Tetrahydrochloride,98%

18. Acmc-2097q8

19. Cyclen Tetrahydrochloride, 98%

20. Ctk0i3776

21. Dtxsid70143291

22. Molport-000-158-508

23. Sbwlcgzebqgyrp-uhfffaoysa-n

24. 51830y7tix

25. Ks-00000wm4

26. Anw-14286

27. Mfcd00068484

28. Rw2687

29. Akos015899824

30. Acn-025224

31. Ls41671

32. Mcule-5011752493

33. Rl00041

34. Ac-26288

35. As-18885

36. C149

37. Kb-10490

38. Sc-20147

39. Ab0030847

40. Ax8054363

41. Db-027328

42. Rt-003310

43. Am20070648

44. Bg01030087

45. Ft-0676155

46. St50827558

47. X3106

48. 1,4,7,10-tetraazacyclododecane,hydrochloride

49. M-1216

50. 045t257

51. 1,4,7,10-tetraazacyclododecane Tetra Hydrochloride

52. I14-11043

53. I14-46799

54. 1,4,7,10-tetraazacyclododecane Tetrahydrochloride, 97+%

55. 1,4,7,10-tetraazacyclododecane (cyclen) Tetrahydrochloride

56. 1,4,7,10-tetraazacyclododecane Tetrahydrochloride, >=97.0% (n)

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 318.108 g/mol
Molecular Formula C8H24Cl4N4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass318.073 g/mol
Monoisotopic Mass316.076 g/mol
Topological Polar Surface Area48.1 A^2
Heavy Atom Count16
Formal Charge0
Complexity65.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5
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