HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methyl-2-(1-methylpropyl)-1,3-propandiol-dicarbamat
MEBUTAMATE · Capla · Prean · W 583 · Axiten · Dormate · Encapla · Vallene
Identifikatoren & physikalische Daten
| CAS No. | 64-55-1 |
|---|---|
| Summenformel | C10H20N2O4 |
| Durchschnittliche Molmasse | 232,28 g/mol |
| Monoisotopische Masse | 232,14230712 g/mol |
| SMILES | CCC(C)C(C)(COC(N)=O)COC(N)=O |
| InChIKey | LEROTMJVBFSIMP-UHFFFAOYSA-N |
| PubChem CID | 6151 |
| ChEMBL | CHEMBL1200922 |
| ChEBI | CHEBI:31804 |
| EC No. | 200-587-5 |
| DTXSID | DTXSID1023239 |
| Lokaler Name | 2-Methyl-2-(1-methylpropyl)-1,3-propandiol-dicarbamat |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 105 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 237 |
| Arzneimittel | DEA NFLIS-Drug Category -> Depressants and TranquilizersDEA Schedule IV Controlled Substance -> DepressantsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Schmelzpunkt | 77-7977-79° |
| Siedepunkt | 374.44°C (rough estimate) |
| Dichte | 1.1633 (rough estimate) |
| Brechungsindex | 1.4710 (estimate) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | DEA schedule IV controlled substance |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,3-Propanediol, 2-methyl-2-(1-methylpropyl)-, dicarbamate: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 oral in rat: 1160mg/kg |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
Antihypertensive.