HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Benzyl-N-phenylpiperidin-4-amin
NSC 76613 · AKOS BBS-00006340 · Fentanyl Impurity 16 · Stavudine Impurity 12 · Fentanyl EP Impurity J · 1-Benzyl-4-anilinopiperidine · 4-ANILINO-1-BENZYLPIPERADINE · 4-Anilino-1-benzylpiperidine
Identifikatoren & physikalische Daten
| CAS No. | 1155-56-2 |
|---|---|
| Summenformel | C18H22N2 |
| Durchschnittliche Molmasse | 266,4 g/mol |
| Monoisotopische Masse | 266,1782987 g/mol |
| SMILES | c1ccc(CN2CCC(Nc3ccccc3)CC2)cc1 |
| InChIKey | FSXGJIFBTBJMHV-UHFFFAOYSA-N |
| PubChem CID | 70865 |
| ChEMBL | CHEMBL1715153 |
| EC No. | 214-583-6 |
| DTXSID | DTXSID80151125 |
| Lokaler Name | 1-Benzyl-N-phenylpiperidin-4-amin |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 259 |
| Arzneimittel | Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds |
| Schmelzpunkt | 848-886 °C |
| Siedepunkt | 404.6±38.0 °C(Predicted) |
| Dichte | 1.106±0.06 g/cm3(Predicted) |
| Dampfdruck | 0-0Pa at 20-25℃ |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Soluble in dichloromethane. |
| pKa (Säurekonstante) | 8.18±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White |
| LogP (Verteilungskoeffizient) | 4-4.2 at pH7-11 |
| CAS Datenbank | 1155-56-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23031 |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2933399090 |
Anwendungen & Verwendung
Verwenden
4-Anilino-1-benzylpiperidine, is used as a pharmaceutical intermediate.