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Home > Pyridines > 1021418-53-0
1021418-53-0 | (±)-2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octanedihydrochloride
CAS No: 1021418-53-0 Catalog No: AG01ENRB MDL No:
Product Description
Catalog Number:
AG01ENRB
Chemical Name:
(±)-2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octanedihydrochloride
CAS Number:
1021418-53-0
Molecular Formula:
C12H18Cl2N2
Molecular Weight:
261.1907
IUPAC Name:
2-pyridin-3-yl-1-azabicyclo[2.2.2]octane;dihydrochloride
InChI:
InChI=1S/C12H16N2.2ClH/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10;;/h1-2,5,9-10,12H,3-4,6-8H2;2*1H
InChI Key:
PIUNXHHZRIUBOV-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)C1CC2CCN1CC2.Cl.Cl
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.19g/mol
Monoisotopic Mass:
260.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Evaluation of structurally diverse neuronal nicotinic receptor ligands for selectivity at the alpha6( *) subtype. | Bioorganic & medicinal chemistry letters 20090801 |
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