| CAS Number | 1021418-53-0 |
| Catalog Number | AG01ENRB(AGN-PC-3H462F) |
| Chemical Name | 2-(Pyridin-3-yl)quinuclidine dihydrochloride |
| 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 |
| Molecular Formula | C12H17ClN2 |
| Molecular Weight | 224.7298 |
| SMILES | Cl.C1(N2CCC(C1)CC2)c1cccnc1 |
| Synonyms | RJR 2429 dihydrochloride,
1021418-53-0,
CHEMBL3217150,
(+/-)-2-(3-PYRIDINYL)-1-AZABICYCLO[2.2.2]OCTANE DIHYDROCHLORIDE,
AKOS024456504,
(+/-)-2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octanedihydrochloride,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number