HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-4-[(2-amino-4-chlorphenyl)amino]piperidin-1-carboxylat
Einecs 258-775-8 · Domperidone Impurity 8 · Domperidone Impurity 2 · Domperidone Impurity I · Domperidone Impurity 28 · ethyl 4-((2-amino-4-chlorophenyl) · ETHYL 4-(2-AMINO-4-CHLOROANILINO)PIPERIDINE-1-CARBOXYLATE · ETHYL 4-(2-AMINO-4-CHLOROANILINO)-1-PIPERIDINECARBOXYLATE
![Molekülstruktur von Ethyl-4-[(2-amino-4-chlorphenyl)amino]piperidin-1-carboxylat](/img/chemical/104609.png)
Identifikatoren & physikalische Daten
| CAS No. | 53786-45-1 |
|---|---|
| Summenformel | C14H20ClN3O2 |
| Durchschnittliche Molmasse | 297,78 g/mol |
| Monoisotopische Masse | 297,1244046 g/mol |
| SMILES | CCOC(=O)N1CCC(Nc2ccc(Cl)cc2N)CC1 |
| InChIKey | PPCPQDDCMQRJLS-UHFFFAOYSA-N |
| PubChem CID | 104609 |
| ChEMBL | CHEMBL3182812 |
| EC No. | 258-775-8 |
| DTXSID | DTXSID9057765 |
| Lokaler Name | Ethyl-4-[(2-amino-4-chlorphenyl)amino]piperidin-1-carboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 322 |
| Siedepunkt | 475.6±45.0 °C(Predicted) |
| Dichte | 1.290±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 4.70±0.11(Predicted) |
| InChI | InChI=1S/C14H20ClN3O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8,16H2,1H3 |
| InChIKey | PPCPQDDCMQRJLS-UHFFFAOYSA-N |
| SMILES | N1(C(OCC)=O)CCC(NC2=CC=C(Cl)C=C2N)CC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Ethyl 4-((2-Amino-4-chlorophenyl)amino)piperidine-1-carboxylate is an impurity of Domperidone(D531100); a novel peripheral dopamine receptor antagonist that does not cross the blood-brain barrier; anti-emetic. Domperidone(Motilium) is a dopamine blocker and an antidopaminergic reagent.