HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Phenylpiperidin-4-carbonsure
Norpethidinic acid · normeperidinicacid · n-demthylmeperidinicacid · 4-phenyl-isonipecoticaci · 4-phenylisonipecotic acid · N-Demethylmeperidinic acid · 4-phenyl-4-piperidinecarboxylicaci · 4-phenylpiperidine-4-carboxylicacid
Identifikatoren & physikalische Daten
| CAS No. | 3627-45-0 |
|---|---|
| Summenformel | C12H15NO2 |
| Durchschnittliche Molmasse | 205,25 g/mol |
| Monoisotopische Masse | 205,11027872 g/mol |
| SMILES | O=C(O)C1(c2ccccc2)CCNCC1 |
| InChIKey | DZZGGKPKWGPNJA-UHFFFAOYSA-N |
| PubChem CID | 19259 |
| EC No. | 222-844-0 |
| DTXSID | DTXSID90868772 |
| Lokaler Name | 4-Phenylpiperidin-4-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 228 |
| Siedepunkt | 374.9±42.0 °C(Predicted) |
| Dichte | 1.157±0.06 g/cm3(Predicted) |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 3.57±0.20(Predicted) |
| InChI | 1S/C12H15NO2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15) |
| InChIKey | DZZGGKPKWGPNJA-UHFFFAOYSA-N |
| CAS Datenbank | 3627-45-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 21-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33311 |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Gefahrenklasse | Acute Tox. 1 DermalAcute Tox. 3 OralEye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
4-Phenyl-4-piperidine carboxylic Acid is used to prepare CB1 antagonists with lowered propensity to pass the blood-brain-barrier. It is also used to synthesize 4,4-disubstituted piperidines as NK1 antagonists.