HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Ethylpiperidin-4-on
1-Ethylpiperidin-4-one · Ethyl 1-piperidone · 1-ethyl-4-piperodone · N-ETHYL-4-PIPERIDONE · 1-ETHYL-4-PIPERIDONE · 1-Ethyl-4-piperidinone · 1-Ethyl-piperidin-4-one · 1-Ethyl-4-oxopiperidine
Identifikatoren & physikalische Daten
| CAS No. | 3612-18-8 |
|---|---|
| Summenformel | C7H13NO |
| Durchschnittliche Molmasse | 127,18 g/mol |
| Monoisotopische Masse | 127,09971404 g/mol |
| SMILES | CCN1CCC(=O)CC1 |
| InChIKey | BDVKAMAALQXGLM-UHFFFAOYSA-N |
| PubChem CID | 77159 |
| EC No. | 222-781-9 |
| DTXSID | DTXSID70189694 |
| Lokaler Name | 1-Ethylpiperidin-4-on |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 101 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 30-32C |
| Siedepunkt | 46-48 °C1 mm Hg(lit.) |
| Dichte | 0.944 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.464(lit.) |
| Flammpunkt | 156 °F |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 8.10±0.20(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| Wichte | 0.944 |
| Löslichkeit | Miscible in water. |
| BRN | 107533 |
| InChI | 1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3 |
| InChIKey | BDVKAMAALQXGLM-UHFFFAOYSA-N |
| SMILES | CCN1CCC(=O)CC1 |
| CAS Datenbank | 3612-18-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Ethyl-4-piperidone(3612-18-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (50%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (50%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 34-36/37/38 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 45-36/37/39-26-36 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Ethyl-4-piperidone has been used in the preparation of 3,5-bisarylmethylene-1-ethyl-4-piperidones.