HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Phenylpiperidin-4-ol
NSC 71658 · Traxoprodil Impurity 3 · LABOTEST-BB LT00233127 · 4-PHENYL-4-PIPERIDINOL · Haloperidol Impurity 4 · 4-PHENYL-PIPERIDIN-4-OL · Haloperidol Impurity 26 · 4-Piperidinol, 4-phenyl-
Identifikatoren & physikalische Daten
| CAS No. | 40807-61-2 |
|---|---|
| Summenformel | C11H15NO |
| Durchschnittliche Molmasse | 177,24 g/mol |
| Monoisotopische Masse | 177,1153641 g/mol |
| SMILES | OC1(c2ccccc2)CCNCC1 |
| InChIKey | KQKFQBTWXOGINC-UHFFFAOYSA-N |
| PubChem CID | 96387 |
| ChEMBL | CHEMBL3561572 |
| EC No. | 255-089-0 |
| DTXSID | DTXSID2057738 |
| Lokaler Name | 4-Phenylpiperidin-4-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 157 |
| Schmelzpunkt | 157-161 °C(lit.) |
| Siedepunkt | 317.9±42.0 °C(Predicted) |
| Dichte | 1.093 |
| Lagerbedingungen | 2-8°C(protect from light) |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.13±0.20(Predicted) |
| Farbe | Pale brown |
| BRN | 141577 |
| InChI | 1S/C11H15NO/c13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2 |
| InChIKey | KQKFQBTWXOGINC-UHFFFAOYSA-N |
| SMILES | OC1(CCNCC1)c2ccccc2 |
| CAS Datenbank | 40807-61-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933399990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Reactant for synthesis of:Diaminotriazine hNav1.7 inhibitorsSelective σligandsGlycogen synthase kinase-3βinhibitorsDiphenylbutylpiperidines as cell autophagy inducersMalonyl-coA decarboxylase inhibitors with antiobesity and antidiabetic activitiesSelective dopamine D2 receptor antagonists