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Also known as: 22766-68-3, Ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate, Ethyl 4-quinuclidinecarboxylate, 1-azabicyclo[2.2.2]octane-4-carboxylic acid, ethyl ester, Mfcd19686937, 1-azabicyclo[2.2.2]octane-4-carboxylic acid ethyl ester
Molecular Formula
C10H17NO2
Molecular Weight
183.25  g/mol
InChI Key
MMXIVBVOFFBDEB-UHFFFAOYSA-N

CAS 22766-68-3
1 2D Structure

CAS 22766-68-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate
2.1.2 InChI
InChI=1S/C10H17NO2/c1-2-13-9(12)10-3-6-11(7-4-10)8-5-10/h2-8H2,1H3
2.1.3 InChI Key
MMXIVBVOFFBDEB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C12CCN(CC1)CC2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 22766-68-3

2. Ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate

3. Ethyl 4-quinuclidinecarboxylate

4. 1-azabicyclo[2.2.2]octane-4-carboxylic Acid, Ethyl Ester

5. Mfcd19686937

6. 1-azabicyclo[2.2.2]octane-4-carboxylic Acid Ethyl Ester

7. 4-quinuclidinecarboxylic Acid, Ethyl Ester

8. Ethylquinuclidine-4-carboxylate

9. 4-(ethoxycarbonyl)quinuclidine

10. Schembl3220818

11. Dtxsid20341487

12. Ethyl Quinucli-dine-4-carboxylate

13. Ethyl Quinuclidine-4-carboxylate #

14. Amy30051

15. Cs-m1578

16. Zinc32135163

17. Sb17914

18. Da-43160

19. Ds-17374

20. Sy033082

21. Quinuclidine-4-carboxylic Acid Ethyl Ester

22. Ft-0702092

23. F11935

24. A878449

25. 1-azabicyclo[2.2.2]octane-4-carboxylic Acid,ethyl Ester

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 183.25 g/mol
Molecular Formula C10H17NO2
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass183.125928785 g/mol
Monoisotopic Mass183.125928785 g/mol
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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