CAS 10045-25-7

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Also known as: 10045-25-7, Cyclen tetrahydrochloride, Tetraaza-12-crown-4 tetrahydrochloride, 1,4,7,10-tetraazacyclododecane, tetrahydrochloride, Cyclen tetrahydrochloride [mi], 1,4,7,10-tetraazacyclododecane, hydrochloride (1:4)

Molecular Formula

C₈H₂₄Cl₄N₄

Molecular Weight

318.1 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. Cyclen Tetrahydrochloride

3. Tetraaza-12-crown-4 Tetrahydrochloride

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

5. Cyclen Tetrahydrochloride [mi]

6. 1,4,7,10-tetraazacyclododecane, Hydrochloride (1:4)

7. 1,4,7,10-tetrazacyclododecane;tetrahydrochloride

8. 1,4,7,10-tetraazacyclododecane Tetra, Hcl

9. 51830y7tix

10. Cyclen-4hcl

11. 1,4,7,10-tetraazacyclododecane,hydrochloride

12. Nsc-249332

13. Unii-51830y7tix

14. Cyclen Tetrahydrochloride, 98%

15. Dtxsid70143291

16. Bcp15868

17. Mfcd00068484

18. Akos015899824

19. 1,4,7,10-tetraazacyclododecane 4hcl

20. Nsc 249332

21. Ac-26288

22. As-18885

23. Db-027328

24. Am20070648

25. Ft-0676155

26. T1426

27. F17698

28. 1,4,7,10-tetraazacyclododecane Tetrahcl

29. 045t257

30. A847170

31. J-503961

32. Q27260886

33. 1,4,7,10-tetraazacyclododecane Tetrahydrochloride, >=97.0% (n)

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₂₄Cl₄N₄
Molecular Weight	318.1 g/mol
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	318.072557 g/mol
Monoisotopic Mass	316.075508 g/mol
Topological Polar Surface Area	48.1 Å²
Heavy Atom Count	16
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	5

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