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2D Structure
Also known as: 6238-13-7, Quinuclidin-3-ol hydrochloride, 3-quinuclidinol hcl, 979w3exj0i, 1-azabicyclo[2.2.2]octan-3-ol;hydrochloride, Quinuclidin-3-ol hcl
Molecular Formula
C7H14ClNO
Molecular Weight
163.64  g/mol
InChI Key
OYEJRVVBERZWPD-UHFFFAOYSA-N
FDA UNII
979W3EXJ0I

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
2.1.2 InChI
InChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H
2.1.3 InChI Key
OYEJRVVBERZWPD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN2CCC1C(C2)O.Cl
2.2 Other Identifiers
2.2.1 UNII
979W3EXJ0I
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 6238-13-7

2. Quinuclidin-3-ol Hydrochloride

3. 3-quinuclidinol Hcl

4. 979w3exj0i

5. 1-azabicyclo[2.2.2]octan-3-ol;hydrochloride

6. Quinuclidin-3-ol Hcl

7. Unii-979w3exj0i

8. Einecs 228-352-2

9. 1-azabicyclo[2.2.2]octan-3-ol Hydrochloride

10. Schembl1191218

11. (r)-3-quinuclidinolhydrochloride

12. Dtxsid90977939

13. 3-hydroxy Quinuclidine Hydrochloride

14. 3-hydroxyqui-nuclidine Hydrochloride

15. 3-quinuclidinol Hydrochloride, 98%

16. Akos015962261

17. Dl-3-quinuclidinol Hydrochloride

18. Ac-16104

19. Bp-12545

20. Db-054149

21. (+/-)-3-quinuclidinol Hydrochloride

22. Ft-0605075

23. Ft-0636036

24. 238q137

25. 3-quinuclidinol Dl-form Hydrochloride [mi]

26. A825899

27. W-203327

28. Q27271996

29. 1-azabicyclo[2.2.2]octan-3-ol--hydrogen Chloride (1/1)

30. (+/-)-1-azabicyclo(2.2.2)octan-3-ol Hydrochloride

31. 1-azabicyclo(2.2.2)octan-3-ol, Hydrochloride (1:1)

32. 25333-43-1

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 163.64 g/mol
Molecular Formula C7H14ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass163.0763918 g/mol
Monoisotopic Mass163.0763918 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2