HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(Isopropyl)-4-piperidon
1-(1'-Methylethyl)-4-piperidone · TIMTEC-BB SBB005846 · isopropyl-4-piperidone · N-Isopropyl-4-piperidon · N-Isopropyl-4-piperidone · 1-ISOPROPYL-4-PIPERIDONE · 4-Piperidone, 1-isopropyl- · 1-Isopropyl-4-piperidinone
Identifikatoren & physikalische Daten
| CAS No. | 5355-68-0 |
|---|---|
| Summenformel | C8H15NO |
| Durchschnittliche Molmasse | 141,21 g/mol |
| Monoisotopische Masse | 141,1153641 g/mol |
| SMILES | CC(C)N1CCC(=O)CC1 |
| InChIKey | CCDBCHAQIXKJCG-UHFFFAOYSA-N |
| PubChem CID | 79313 |
| EC No. | 226-339-6 |
| DTXSID | DTXSID50201762 |
| Lokaler Name | 1-(Isopropyl)-4-piperidon |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 121 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 105-105.5 °C |
| Siedepunkt | 100-101 °C (27 mmHg) |
| Dichte | 0.95 |
| Brechungsindex | 1.465-1.467 |
| Flammpunkt | 100-101°C/27mm |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 8.18±0.20(Predicted) |
| Farbe | Colorless to Brown |
| BRN | 107857 |
| InChI | InChI=1S/C8H15NO/c1-7(2)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3 |
| InChIKey | CCDBCHAQIXKJCG-UHFFFAOYSA-N |
| SMILES | N1(C(C)C)CCC(=O)CC1 |
| CAS Datenbank | 5355-68-0(CAS DataBase Reference) |
| NIST chemische Informationen | N-isopropyl-4-piperidone(5355-68-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.8%) |
| Zollcode | 29333990 |
| R-Sätze (R) | 34-36/37/38 |
| Gefahrensymbole | C,Xi |
| Sicherheitshinweise (S) | 45-36/37/39-26-36-37 |
Anwendungen & Verwendung
Verwenden
Used as a pharmaceutical intermediate.