CAS 6530-09-2

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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

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 Formula	C₇H₁₆Cl₂N₂
Molecular Weight	199.12 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	198.0690539 g/mol
Monoisotopic Mass	198.0690539 g/mol
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	106
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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