HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Methyl-4-phenylpiperidin-4-ol
IK 4 · Einecs 225-619-5 · 4-Phenyl-1-Methyl-4-piperidinol · 4-Piperidinol, 1-methyl-4-phenyl-
Identifikatoren & physikalische Daten
| CAS No. | 4972-68-3 |
|---|---|
| Summenformel | C12H17NO |
| Durchschnittliche Molmasse | 191,27 g/mol |
| Monoisotopische Masse | 191,13101416 g/mol |
| SMILES | CN1CCC(O)(c2ccccc2)CC1 |
| InChIKey | JVMCZMQYJIRKRV-UHFFFAOYSA-N |
| PubChem CID | 78670 |
| ChEMBL | CHEMBL2262189 |
| EC No. | 225-619-5 |
| DTXSID | DTXSID90197993 |
| Lokaler Name | 1-Methyl-4-phenylpiperidin-4-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 179 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 109-112C |
| Siedepunkt | 173 °C(Press: 13 Torr) |
| Dichte | 1.079±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | soluble in Chloroform, Dichloromethane, Ethyl Acetate |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.06±0.20(Predicted) |
| Farbe | Off-White |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (33.3%) |
| Zollcode | 2933399990 |
Anwendungen & Verwendung
Verwenden
An intermediate of Meperidine (Pethidine) (M223900).