CAS 295-37-4

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Chemistry

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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

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 Formula	C₁₀H₂₄N₄
Molecular Weight	200.32 g/mol
XLogP3	-1.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	200.20009678 g/mol
Monoisotopic Mass	200.20009678 g/mol
Topological Polar Surface Area	48.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	92.7
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