HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Piperidinopropiophenone
Benzhexol Impurity 1 · β-Piperidinopropiophenone · 3-(1-Piperidinyl)propiophenone · β-(1-Piperidinyl)propiophenone · 1-Phenyl-3-piperidinopropan-1-one · 1-Phenyl-3-piperidino-1-propanone · 3-(1-Piperidinyl)propiophenone HCl · 3-(1-PIPERIDINYL)PROPIOPHENONE 98%
Identifikatoren & physikalische Daten
| CAS No. | 73-63-2 |
|---|---|
| Summenformel | C14H19NO |
| Durchschnittliche Molmasse | 217,31 g/mol |
| Monoisotopische Masse | 217,14666423 g/mol |
| SMILES | O=C(CCN1CCCCC1)c1ccccc1 |
| InChIKey | BIBARRYXKABQKJ-UHFFFAOYSA-N |
| PubChem CID | 70172 |
| ChEMBL | CHEMBL1301346 |
| EC No. | 635-445-5 |
| DTXSID | DTXSID60223273 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 215 |
| LogP (Verteilungskoeffizient) | 2.4 |
| Schmelzpunkt | 192-193 °C |
| Siedepunkt | 135-136 °C(Press: 1.0 Torr) |
| Dichte | 1.029±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 8.78±0.10(Predicted) |
| InChI | InChI=1S/C14H19NO/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15/h1,3-4,7-8H,2,5-6,9-12H2 |
| InChIKey | BIBARRYXKABQKJ-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1)(=O)CCN1CCCCC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 01-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20397 |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
3-Piperidinopropiophenone is used in the synthesis of semicarbazones of acetophenone which possesses anti-convulsant activity. Also, it is an intermediate used in the synthesis of Cycrimine Hydrochloride (C991450), which is a cholinolytic anti-Parkinson drug which can cause neuromuscular blockades in isolated rat diaphragms.