HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one · 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro- · 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one - [T28673]
Identifikatoren & physikalische Daten
| CAS No. | 5755-07-7 |
|---|---|
| Summenformel | C9H10N2O |
| Durchschnittliche Molmasse | 162,19 g/mol |
| Monoisotopische Masse | 162,07931294 g/mol |
| SMILES | O=C1CCNc2ccccc2N1 |
| InChIKey | XTDMZEZDXXJVMK-UHFFFAOYSA-N |
| PubChem CID | 223771 |
| ChEMBL | CHEMBL3814945 |
| EC No. | 664-216-2 |
| DTXSID | DTXSID20279211 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 181 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 140.5-141.5 °C |
| Siedepunkt | 376.1±31.0 °C(Predicted) |
| Dichte | 1.137±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 14.80±0.20(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.4%) |
| Zollcode | 2933998090 |
Anwendungen & Verwendung
Verwenden
A tetrahydrobenzodiazepine derivative as arginine vasopressin antagonist.