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Also known as: Cyclen, 294-90-6, 1,4,7,10-tetrazacyclododecane, [12]anen4, Chebi:37391, 1,4,7,10tetraaza-cyclododecane
Molecular Formula
C8H20N4
Molecular Weight
172.27  g/mol
InChI Key
QBPPRVHXOZRESW-UHFFFAOYSA-N
FDA UNII
964584YO2O

Cyclen
1 2D Structure

Cyclen

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,4,7,10-tetrazacyclododecane
2.1.2 InChI
InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
2.1.3 InChI Key
QBPPRVHXOZRESW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CNCCNCCNCCN1
2.2 Other Identifiers
2.2.1 UNII
964584YO2O
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Cyclen

2. Tetraaza-12-crown-4

3. Tris Acetic Acid-1,4,7,10-tetraazacyclododecane

2.3.2 Depositor-Supplied Synonyms

1. Cyclen

2. 294-90-6

3. 1,4,7,10-tetrazacyclododecane

4. [12]anen4

5. Chebi:37391

6. 1,4,7,10tetraaza-cyclododecane

7. 5-26-11-00023 (beilstein Handbook Reference)

8. Nsc629374

9. 964584yo2o

10. Nsc-629374

11. Tetraaza-12-crown-4

12. Mfcd00066281

13. Nsc 629374

14. Brn 0606114

15. Unii-964584yo2o

16. 1,4,7,10 Tetrazacyclododecane

17. Cyclen, 97%

18. Cyclen [mi]

19. Ec 425-450-9

20. Ec 608-365-3

21. Schembl22003

22. Mls000069489

23. Chembl19880

24. 1,4,7,1-tetraazacyclododecane

25. 1,4,7,10 Tetraazacyclododecane

26. Dtxsid60183621

27. Bcpp000272

28. 1,4,7,10-tetraaza Cyclododecane

29. 1,4,7,10-tetraaza-cyclododecane

30. Bcp01943

31. Zinc5850273

32. Akos015854526

33. 1,4,7,10-tetracyclododecane

34. Ac-8363

35. Bcp9000563

36. Ccg-266373

37. Cs-w007656

38. Gs-0907

39. Hy-w007656

40. Sc11813

41. Ncgc00018128-01

42. Ncgc00018128-02

43. Ncgc00018128-03

44. Bp-21078

45. Bp-21532

46. Nci60_009514

47. Smr000059056

48. Am20090388

49. Ft-0631904

50. S4927

51. T1874

52. 294t906

53. A819936

54. A1-01690

55. J-503960

56. J-802177

57. Q63390538

58. 1,4,7,10-tetraazacyclododecane;1,4,7,10-tetracyclododecane;1,4,7,10-tetrazacyclododecane;cyclen;kryptofix 11 Aza

2.3.3 Other Synonyms

1. Cyclen

2. 1,4,7,10 Tetrazacyclododecane

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 172.27 g/mol
Molecular Formula C8H20N4
XLogP3-2.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass172.16879665 g/mol
Monoisotopic Mass172.16879665 g/mol
Topological Polar Surface Area48.1 Ų
Heavy Atom Count12
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 Count1

BUILDING BLOCK

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