| CAS Number | 1461704-72-2 |
| Catalog Number | AG01A5UJ |
| Chemical Name | 6-[2-(TERT-BUTOXY)ETHOXY]PYRIDINE-2-CARBONITRILE |
| IUPAC Name | 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carbonitrile |
| InChI | InChI=1S/C12H16N2O2/c1-12(2,3)16-8-7-15-11-6-4-5-10(9-13)14-11/h4-6H,7-8H2,1-3H3 |
| InChI Key | OBDXBTZMORXUKL-UHFFFAOYSA-N |
| MDL Number | MFCD25371624 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | N#CC1=NC(OCCOC(C)(C)C)=CC=C1 |
| Synonyms | 6-[2-(tert-butoxy)ethoxy]pyridine-2-carbonitrile,
1461704-72-2,
ZINC95347961,
NE29616,
BC5207084,
EN300-130271,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number