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Also known as: 6530-09-2, (r)-3-aminoquinuclidine dihydrochloride, 3-aminoquinuclidine 2hcl, 1-aza-bicyclo[2.2.2]oct-3-ylamine dihydrochloride, Quinuclidin-3-amine dihydrochloride, Quinuclidine, 3-amino-, dihydrochloride
Molecular Formula
C7H16Cl2N2
Molecular Weight
199.12  g/mol
InChI Key
STZHBULOYDCZET-UHFFFAOYSA-N

CAS 6530-09-2
1 2D Structure

CAS 6530-09-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
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
2.1.3 InChI Key
STZHBULOYDCZET-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN2CCC1C(C2)N.Cl.Cl
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 3-aminoquinuclidine

2.2.2 Depositor-Supplied Synonyms

1. 6530-09-2

2. (r)-3-aminoquinuclidine Dihydrochloride

3. 3-aminoquinuclidine 2hcl

4. 1-aza-bicyclo[2.2.2]oct-3-ylamine Dihydrochloride

5. Quinuclidin-3-amine Dihydrochloride

6. Quinuclidine, 3-amino-, Dihydrochloride

7. 3aminoquinuclidine Dihydrochloride

8. 1-azabicyclo[2.2.2]octan-3-amine, Dihydrochloride

9. Mfcd00137395

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

11. 3-amino-1-azabicyclo[2.2.2]octane Dihydrochloride

12. (r)-3-aminoquinuclidine Dihcl

13. 1-azabicyclo[2.2.2]octan-3-amine Hydrochloride

14. Mfcd00191752

15. Mfcd00191753

16. (s)-3-aminoquinuclidine 2hcl

17. 1-azabicyclo[2.2.2]octan-3-amine Dihydrochloride

18. Einecs 229-424-6

19. Nsc 93906

20. (+/-)-3-aminoquinuclidine Dihydrochloride

21. Schembl222752

22. 3-aminoquinuclidinedihydrochloride

23. 3-aminochinuclidin Dihydrochloride

24. 3-amino Quinuclidine Dihydrochloride

25. 3-amino-quinuclidine Dihydrochloride

26. 3-aminoquinuclidine, Dihydrochloride

27. Bcp32928

28. Cs-m0938

29. Akos000100795

30. Akos016842539

31. Pb27474

32. Sb31663

33. Sb38140

34. (+/-)3-aminoquinuclidine Dihydrochloride

35. 3-aminoquinuclidine Dihydrochloride, 98%

36. As-17439

37. As-17565

38. Sy002065

39. Sy004709

40. Sy057220

41. Db-008995

42. (1s,4s)-quinuclidin-3-amine Dihydrochloride

43. A1236

44. Ft-0602736

45. Ft-0603868

46. 1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride

47. 530a092

48. Q-100012

49. (rs)-1-azabicyclo[2.2.2]oct-3-ylamine Dihydrochloride

50. (rs)-3-amino-1-azabicyclo[2.2.2]octane Dihydrochloride

51. 1-azabicyclo[2.2.2]octan-3-amine Dihydrochloride Salt

52. Racemic 1-azabicyclo[2.2.2]oct-3-ylamine Dihydrochloride

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

2.3 Create Date
2005-07-19
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

BUILDING BLOCK

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