CAS 123536-14-1

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3 End Use APIs
8 Related Intermediates

Chemistry

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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

CAS 123536-14-1

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 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	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3