| CAS Number | 72914-17-1 |
| Catalog Number | AG01EX7Q(AGN-PC-3H489D) |
| Chemical Name | 4-(Oxan-4-yl)-2-[4-(oxan-4-yl)pyridin-2-yl]pyridine |
| IUPAC Name | 4-(oxan-4-yl)-2-[4-(oxan-4-yl)pyridin-2-yl]pyridine |
| InChI | InChI=1S/C20H24N2O2/c1-7-21-19(13-17(1)15-3-9-23-10-4-15)20-14-18(2-8-22-20)16-5-11-24-12-6-16/h1-2,7-8,13-16H,3-6,9-12H2 |
| InChI Key | MKZHFQXHTCUNFZ-UHFFFAOYSA-N |
| MDL Number | MFCD06637783 |
| Molecular Formula | C20H24N2O2 |
| Molecular Weight | 324.4168 |
| SMILES | C1(=NC=CC(C2CCOCC2)=C1)C1N=CC=C(C2CCOCC2)C=1 |
| Synonyms | 4-(oxan-4-yl)-2-[4-(oxan-4-yl)pyridin-2-yl]pyridine,
72914-17-1,
SCHEMBL11390639,
ZINC15781983,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.424g/mol |
| Monoisotopic Mass | 324.184g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number