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Also known as: Cyclam, 295-37-4, 1,4,8,11-tetrazacyclotetradecane, Mfcd00005105, [14]anen4, Ep5az544vp
Molecular Formula
C10H24N4
Molecular Weight
200.32  g/mol
InChI Key
MDAXKAUIABOHTD-UHFFFAOYSA-N
FDA UNII
EP5AZ544VP

CAS 295-37-4
1 2D Structure

CAS 295-37-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,4,8,11-tetrazacyclotetradecane
2.1.2 InChI
InChI=1S/C10H24N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h11-14H,1-10H2
2.1.3 InChI Key
MDAXKAUIABOHTD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CNCCNCCCNCCNC1
2.2 Other Identifiers
2.2.1 UNII
EP5AZ544VP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Cyclam

2. Cyclam Dihydroiodide

3. Cyclam Diperchlorate

4. Cyclam Monohydrobromide

5. Jm1498

2.3.2 Depositor-Supplied Synonyms

1. Cyclam

2. 295-37-4

3. 1,4,8,11-tetrazacyclotetradecane

4. Mfcd00005105

5. [14]anen4

6. Ep5az544vp

7. Chebi:37401

8. 1,4,8,11-tetraazacyclo-tetradecane

9. Nsc-180811

10. Ips2

11. Einecs 206-039-1

12. Nsc 180811

13. Jm 1498

14. Brn 0111811

15. 14-crown-4n4

16. Cyclam(1,4,8,11-tetraazacyclotetradecane)

17. Unii-ep5az544vp

18. Schembl33477

19. Cbdive_013909

20. 5-26-11-00027 (beilstein Handbook Reference)

21. Mls000069469

22. Chembl125150

23. 1,8,11-tetraazacyclotetradecane

24. Dtxsid30183698

25. Bcp05842

26. 1,4,8,11tetraaza-cyclotetradecane

27. Jm1498

28. Nsc180811

29. Stl333618

30. Zinc19942876

31. 1,4,8,11-tetraaza-cyclotetradecane

32. 1,4,8,11-tetra-aza Cyclotetradecane

33. Akos015854525

34. Am84902

35. Cs-w019774

36. Jm-1498

37. Ncgc00018136-01

38. Ncgc00018136-02

39. Ncgc00018136-03

40. As-19218

41. Smr000059059

42. Sy010380

43. Db-047596

44. Ft-0624146

45. T1597

46. 1,4,8,11-tetraazacyclotetradecane, 98% (gc)

47. A819951

48. Q-200078

49. Q1970333

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 200.32 g/mol
Molecular Formula C10H24N4
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass200.20009678 g/mol
Monoisotopic Mass200.20009678 g/mol
Topological Polar Surface Area48.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity92.7
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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