HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,4-Dimethyl-2-pyrrolidinone
4,4-diMethylpyrrolidin-2-one · 4,4-dimethylpyrrolidin · 2-PYRROLIDONE,4,4-DIMETHYL · 4,4-Dimethyl-2-pyrrolidone · 4,4-dimethyl-2-pyrrolidinone · 2-pyrrolidinone, 4,4-dimethyl- · 4,4-Dimethyl-2-pyrrolidinone,95%
Identifikatoren & physikalische Daten
| CAS No. | 66899-02-3 |
|---|---|
| Summenformel | C6H11NO |
| Durchschnittliche Molmasse | 113,16 g/mol |
| Monoisotopische Masse | 113,08406397 g/mol |
| SMILES | CC1(C)CNC(=O)C1 |
| InChIKey | HGVPKAGCVCGRDQ-UHFFFAOYSA-N |
| PubChem CID | 637593 |
| EC No. | 800-716-0 |
| DTXSID | DTXSID70348461 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 118 |
| Schmelzpunkt | 38-40° |
| Siedepunkt | 150-155℃ (18 Torr) |
| Dichte | 0.945±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 16.70±0.40(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to cream |
| Löslichkeit | Sparingly soluble in water.(0.26 g/L) (25°C), |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| Zollcode | 2933998090 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
It is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor.