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2D Structure
Also known as: 123536-14-1, (r)-(+)-3-aminoquinuclidine dihydrochloride, (r)-quinuclidin-3-amine dihydrochloride, (3r)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride, (3r)-quinuclidin-3-amine dihydrochloride, (r)-(+)-3-aminoquinuclidine dihcl
Molecular Formula
C7H16Cl2N2
Molecular Weight
199.12  g/mol
InChI Key
STZHBULOYDCZET-KLXURFKVSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R)-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-;;/m0../s1
2.1.3 InChI Key
STZHBULOYDCZET-KLXURFKVSA-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. 123536-14-1

2. (r)-(+)-3-aminoquinuclidine Dihydrochloride

3. (r)-quinuclidin-3-amine Dihydrochloride

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

5. (3r)-quinuclidin-3-amine Dihydrochloride

6. (r)-(+)-3-aminoquinuclidine Dihcl

7. (r)-3-aminoquinuclidine 2hcl

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

9. 1-azabicyclo[2.2.2]octan-3-amine, Dihydrochloride, (3r)-

10. (r)-3-aminoquinuclidine Dihcl

11. Mfcd00191753

12. (3r)-1-azabicyclo[2.2.2]octan-3-amine Hydrochloride

13. (3s)-quinuclidin-3-amine Dihydrochloride

14. Schembl260467

15. Amy37671

16. (r)-3-aminoquinuclidinedihydrochloride

17. 3(r)-aminoquinuclidine Dihydrochloride

18. Akos015845596

19. Akos015894519

20. Akos034830316

21. (r)-quinuclidin-3-amine Dihyrochloride

22. Ac-4631

23. 3-(r)-aminoquinuclidine Dihydrochloride

24. As-32809

25. Ds-10734

26. R-(+)-3-aminoquinuclidine Dihydrochloride

27. (r)-(+)-3-aminoquinuclidine 2hcl

28. Db-005524

29. (3r)-3-aminoquinuclidine Dihydrochloride

30. 536a141

31. A805116

32. (r)-(+)-3-aminoquinuclidine Dihydrochloride, 98%

33. Q-100108

34. (r)-1-azabicyclo[2.2.2]oct-3-ylamine Dihydrochloride

35. (r)-(+)-3-amino-1-azabicyclo[2.2.2]octane Dihydrochloride

36. 1-azabicyclo[2.2.2]octan-3-amine, Hydrochloride (1:2), (3r)-

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