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Also known as: 119904-90-4, (s)-quinuclidin-3-amine dihydrochloride, (s)-(-)-3-aminoquinuclidine dihydrochloride, (3s)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride, (s)-3-aminoquinuclidine dihcl, (3s)-aminoquinuclidine dihydrochloride
Molecular Formula
C7H16Cl2N2
Molecular Weight
199.12  g/mol
InChI Key
STZHBULOYDCZET-XCUBXKJBSA-N

CAS 119904-90-4
1 2D Structure

CAS 119904-90-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3S)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
2.1.2 InChI
InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H/t7-;;/m1../s1
2.1.3 InChI Key
STZHBULOYDCZET-XCUBXKJBSA-N
2.1.4 Canonical SMILES
C1CN2CCC1C(C2)N.Cl.Cl
2.1.5 Isomeric SMILES
C1CN2CCC1[C@@H](C2)N.Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 119904-90-4

2. (s)-quinuclidin-3-amine Dihydrochloride

3. (s)-(-)-3-aminoquinuclidine Dihydrochloride

4. (3s)-1-azabicyclo[2.2.2]octan-3-amine Dihydrochloride

5. (s)-3-aminoquinuclidine Dihcl

6. (3s)-aminoquinuclidine Dihydrochloride

7. (3s)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride

8. (s)-1-aza-bicyclo[2.2.2]oct-3-ylamine Dihydrochloride

9. (3s)-3-aminoquinuclidine Dihydrochloride

10. 1-azabicyclo[2.2.2]octan-3-amine, Dihydrochloride, (3s)-

11. (s)-3-aminoquinuclidine Hydrochloride

12. (s)-(-)-3-aminoquinuclidine 2hcl

13. Mfcd00191752

14. (s)-3-aminoquinuclidine 2hcl

15. (3s)-quinuclidin-3-amine Dihydrochloride

16. Schembl222751

17. Amy4418

18. Dtxsid60500339

19. Act02255

20. Bcp04328

21. Cs-m1833

22. 3(s)-aminoquinuclidine Dihydrochloride

23. Akos015897102

24. Akos016842379

25. (s)-quinuclidin-3-aminedihydrochloride

26. Ac-1559

27. Gs-3133

28. 3-(s)-aminoquinuclidine Dihydrochloride

29. Ds-12235

30. S-(-)-3-aminoquinuclidine Dihydrochloride

31. Db-005556

32. 904a904

33. A804391

34. (s)-(-)-3-aminoquinuclidine Dihydrochloride, 98%

35. Q-100095

36. (3s)-1-azabicyclo[2.2.2]octan-3-amine Hydrochloride

37. (s)-1-azabicyclo[2.2.2]oct-3-ylamine Dihydrochloride

38. (s)-n-1-azabicyclo[2.2.2]oct-3-ylamine Dihydrochloride

39. (s)-3-amino-1-azabicyclo[2.2.2]octane Dihydrochloride Salt

40. (3s)-1-azabicyclo[2.2.2]octan-3-amine--hydrogen Chloride (1/2)

41. 1-azabicyclo[2.2.2]octan-3-amine, Hydrochloride (1:2), (3s)-

42. (3s)-1-azabicyclo[2.2.2]octan-3-amine Dihydrochloride ((3s)-3-aminoquinuclidine Dihydrochloride)

43. 2-quinuclidin-3-yl-3a,4,5,6-tetrahydro-3h-benzo[de]isoquinolin-1-one Hydrochloride;(s)-quinuclidin-3-amine Dihydrochloride

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 199.12 g/mol
Molecular Formula C7H16Cl2N2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass198.0690539 g/mol
Monoisotopic Mass198.0690539 g/mol
Topological Polar Surface Area29.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity106
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

BUILDING BLOCK

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