Cyclen

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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

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 Formula	C₈H₂₀N₄
Molecular Weight	172.27 g/mol
XLogP3	-2.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	172.16879665 g/mol
Monoisotopic Mass	172.16879665 g/mol
Topological Polar Surface Area	48.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	65.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1