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5-Ethyl-5-methylimidazolidin-2,4-dion
5-ETHYL-5-METHYLHYDANTOIN · NSC 1020 · 5-ETHYL-5-METHYLIMIDAZOLIDINE-2,4-DIONE · 5-Methyl-5-ethyl-2,4-imidazolidinedione · 2,4-Imidazolidinedione, 5-ethyl-5-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 5394-36-5 |
|---|---|
| Summenformel | C6H10N2O2 |
| Durchschnittliche Molmasse | 142,16 g/mol |
| Monoisotopische Masse | 142,07422756 g/mol |
| SMILES | CCC1(C)NC(=O)NC1=O |
| InChIKey | VSJRBQDMBFFHMC-UHFFFAOYSA-N |
| PubChem CID | 82162 |
| ChEMBL | CHEMBL3186277 |
| EC No. | 226-402-8 |
| DTXSID | DTXSID9041368 |
| Lokaler Name | 5-Ethyl-5-methylimidazolidin-2,4-dion |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 190 |
| Physical Description | Large CrystalsLiquid |
| Collision Cross Section | 129.7 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID9041368] |
| Schmelzpunkt | 144-150 ºC |
| Dichte | 1.095±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 8.93±0.10(Predicted) |
| InChI | 1S/C6H10N2O2/c1-3-6(2)4(9)7-5(10)8-6/h3H2,1-2H3,(H2,7,8,9,10) |
| InChIKey | VSJRBQDMBFFHMC-UHFFFAOYSA-N |
| SMILES | CCC1(C)NC(=O)NC1=O |
| EPA chemische Informationen | 2,4-Imidazolidinedione, 5-ethyl-5-methyl- (5394-36-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2,4-Imidazolidinedione, 5-ethyl-5-methyl-2,4-Imidazolidinedione, 5-ethyl-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4-Imidazolidinedione, 5-ethyl-5-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711) |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933299090 |
| RTECS-Nr. | MU2070000 |
| R-Sätze (R) | 22 |
| Toxizität | LD50 subcutaneous in mouse: 2gm/kg |
| Gefahrensymbole | Xn |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
Reactant for synthesis of nociceptin/orphanin FQ analogues