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Also known as: 22766-67-2, Ethyl quinuclidine-4-carboxylate hcl, Ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate;hydrochloride, Ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate hydrochloride, Amy30052, Cs-d0516
Molecular Formula
C10H18ClNO2
Molecular Weight
219.71  g/mol
InChI Key
LDGRWAASJLSZMG-UHFFFAOYSA-N

CAS 22766-67-2
1 2D Structure

CAS 22766-67-2

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

1. 22766-67-2

2. Ethyl Quinuclidine-4-carboxylate Hcl

3. Ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate;hydrochloride

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

5. Amy30052

6. Cs-d0516

7. Xaa76667

8. Mfcd28978325

9. Ac-30868

10. Ds-12384

11. Ethylquinuclidine-4-carboxylatehydrochloride

12. F11936

13. A925058

2.3 Create Date
2015-09-01
3 Chemical and Physical Properties
Molecular Weight 219.71 g/mol
Molecular Formula C10H18ClNO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass219.1026065 g/mol
Monoisotopic Mass219.1026065 g/mol
Topological Polar Surface Area29.5 Ų
Heavy Atom Count14
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 Count2

BUILDING BLOCK

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