CAS 6238-13-7

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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

CAS 6238-13-7

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 Formula	C₇H₁₄ClNO
Molecular Weight	163.64 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	163.0763918 g/mol
Monoisotopic Mass	163.0763918 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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	2