| CAS Number | 1955554-06-9 |
| Catalog Number | AG01B57U |
| Chemical Name | 2,2-dicyclopentyl-2-(pyridin-4-yl)acetonitrile |
| IUPAC Name | 2,2-dicyclopentyl-2-pyridin-4-ylacetonitrile |
| InChI | InChI=1S/C17H22N2/c18-13-17(14-5-1-2-6-14,15-7-3-4-8-15)16-9-11-19-12-10-16/h9-12,14-15H,1-8H2 |
| InChI Key | LOZAFSQJSPBMFU-UHFFFAOYSA-N |
| MDL Number | MFCD29991960 |
| Molecular Formula | C17H22N2 |
| Molecular Weight | 254.37 |
| SMILES | N#CC(C1=CC=NC=C1)(C1CCCC1)C1CCCC1 |
| Synonyms | 2,2-dicyclopentyl-2-(pyridin-4-yl)acetonitrile,
1955554-06-9,
ZINC390822025,
EN300-299735,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.377g/mol |
| Monoisotopic Mass | 254.178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number