HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dimethyl acetamidomalonate
DimethylAcylaminomalonate · Dimethyl acetamidomalonate · Dimethyl acetaminomalonate · DiMethyl 2-acetaMidoMalonate · imethyl2-acetamidopropanedioate · dimethyl 2-acetamidopropanedioate · Acetamidomalonic acid dimethyl ester · ACETYLAMINOMALONIC ACID DIMETHYLESTER
Identifiers & Physical Properties
| CAS No. | 60187-67-9 |
|---|---|
| Molecular formula | C7H11NO5 |
| Average molar mass | 189.17 g/mol |
| Monoisotopic mass | 189.06372245 g/mol |
| SMILES | COC(=O)C(NC(C)=O)C(=O)OC |
| InChIKey | CHQXZPUFDGYORW-UHFFFAOYSA-N |
| PubChem CID | 291813 |
| DTXSID | DTXSID50303210 |
Chemical & Physical Properties
| XLogP | -0.4 |
|---|---|
| Topological polar surface area | 81.7 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 209 |
| Melting point | 62-63 °C |
| Boiling point | 286.4±20.0 °C(Predicted) |
| Density | 1.202±0.06 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,Room Temperature |
| pKa (acidity coefficient) | 11.89±0.59(Predicted) |