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1-Methyldiazolidin-2,4-dion
2,4-IMidazolidinedione, 1-Methyl- · N-Methylhydantoin · 1-methylimidazolidine-2,4-dione · NSC 80560 · 9-Diaza-1 · Dioxy-creatinine · 1-Methylhydantoin · 1-Methylhydantoine
Identifikatoren & physikalische Daten
| CAS No. | 616-04-6 |
|---|---|
| Summenformel | C4H6N2O2 |
| Durchschnittliche Molmasse | 114,1 g/mol |
| Monoisotopische Masse | 114,04292743 g/mol |
| SMILES | CN1CC(=O)NC1=O |
| InChIKey | RHYBFKMFHLPQPH-UHFFFAOYSA-N |
| PubChem CID | 69217 |
| ChEMBL | CHEMBL4758352 |
| ChEBI | CHEBI:16354 |
| EC No. | 210-460-6 |
| DTXSID | DTXSID90210595 |
| Lokaler Name | 1-Methyldiazolidin-2,4-dion |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 143 |
| LogP (Verteilungskoeffizient) | -1.148 |
| Physical Description | Solid |
| Schmelzpunkt | 156-157 °C(lit.) |
| Siedepunkt | 213.59°C (rough estimate) |
| Dichte | 1.284 |
| Brechungsindex | 1.4487 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Soluble in methanol. (almost transparency). Insoluble in water. |
| pKa (Säurekonstante) | 8.94±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| InChI | 1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8) |
| InChIKey | RHYBFKMFHLPQPH-UHFFFAOYSA-N |
| SMILES | CN1CC(=O)NC1=O |
| CAS Datenbank | 616-04-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29332100 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Reactant for organocatalytic tandem three component reactions of aldehyde, alkyl vinyl ketone, and amideReactant for synthesis of:Selective angiotensin II AT2 receptor agonists with reduced CYP 450 inhibitionAllosteric glucokinase activatorsHydantoin derivatives with antiproliferative activityThiohydantoinsP2X7 receptor antagonists