HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Pyridin-4-ylbutan-2-one
1-pyridin-4-ylbutan-2-one · 1-(4-Pyridinyl)-2-butanone · 2-Butanone, 1-(4-pyridinyl)-
Identifiers & Physical Properties
| CAS No. | 6304-20-7 |
|---|---|
| Molecular formula | C9H11NO |
| Average molar mass | 149.19 g/mol |
| Monoisotopic mass | 149.08406397 g/mol |
| SMILES | CCC(=O)Cc1ccncc1 |
| InChIKey | FBLVQXITSLUNLI-UHFFFAOYSA-N |
| PubChem CID | 238299 |
| DTXSID | DTXSID00285678 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 30 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 128 |
| Storage conditions | Refrigerator |
| Solubility | Chloroform (Slightly), Methanol (Sparingly) |
| Physical state | Oil |
| Color | Light Yellow to Yellow |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Applications & Uses
Uses
1-(4-Pyridinyl)-2-butanone is an intermediate in the synthesis of Milrinone (M344680) and Amrinone (A635000) analogues used as an cardiotonic agent.