HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(p-Chlorphenyl)piperidin-4-ol
Loperamide Impurity C · 4-(4-CHLOROPHENYL)-4-PIPERIDINOL · 4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDINE · NSC 89568 · Compound Fr13199 · NMDAR antagonist 3 · TIMTEC-BB SBB003427 · LABOTEST-BB LT00233227
Identifikatoren & physikalische Daten
| CAS No. | 39512-49-7 |
|---|---|
| Summenformel | C11H14ClNO |
| Durchschnittliche Molmasse | 211,69 g/mol |
| Monoisotopische Masse | 211,07639175 g/mol |
| SMILES | OC1(c2ccc(Cl)cc2)CCNCC1 |
| InChIKey | LZAYOZUFUAMFLD-UHFFFAOYSA-N |
| PubChem CID | 38282 |
| ChEMBL | CHEMBL3298755 |
| ChEBI | CHEBI:169225 |
| EC No. | 254-479-8 |
| DTXSID | DTXSID7057733 |
| Lokaler Name | 4-(p-Chlorphenyl)piperidin-4-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 184 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| LogP (Verteilungskoeffizient) | 1.98 |
| Physical Description | Off-white powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 137-140 °C (lit.) |
| Siedepunkt | 344.5±42.0 °C(Predicted) |
| Dichte | 1.1138 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | 340mg/l340 mg/L (20 ºC) |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 13.92±0.20(Predicted) |
| Farbe | White to creamy-white |
| pH | 10 (H2O, 20℃)(saturated solution) |
| BRN | 165923 |
| InChI | 1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2 |
| InChIKey | LZAYOZUFUAMFLD-UHFFFAOYSA-N |
| SMILES | OC1(CCNCC1)c2ccc(Cl)cc2 |
| CAS Datenbank | 39512-49-7(CAS DataBase Reference) |
| NIST chemische Informationen | 4-(Para-chlorophenyl)-4-hydroxypiperidine(39512-49-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (28.1%): 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 57 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 27-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/204164-(4-Chlorophenyl)-4-hydroxypiperidine: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes analgesia in acute subcutaneous studies of mice[RTECS] A skin and strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (28.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333999 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2Skin Sens. 1 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-(4-Chlorophenyl)-4-hydroxypiperidine can be used as potential fluorescent sigma receptor probes.