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1-(2-Benzoylethyl)piperidiniumchlorid
Pridinol impurity B · Trihexyphenidyl impurity 6 · Trihexyphenidyl EP Impurity A HCl · Benzhexol Impurity 1 Hydrochloride · 1-Phenyl-3-(piperidin-1-yl)propan-1 · TrihexylphenidylRelatedCompoundA.HCL · 1-(2-benzoylethyl)piperidinium chloride · -(1-PIPERIDYL)PROPIOPHENONE HYDROCHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 886-06-6 |
|---|---|
| Summenformel | C14H20ClNO |
| Durchschnittliche Molmasse | 253,77 g/mol |
| Monoisotopische Masse | 253,123342 g/mol |
| SMILES | Cl.O=C(CCN1CCCCC1)c1ccccc1 |
| InChIKey | XIROGEVVNHGHFZ-UHFFFAOYSA-N |
| PubChem CID | 70171 |
| ChEMBL | CHEMBL1301346 |
| EC No. | 212-947-9 |
| DTXSID | DTXSID60237193 |
| Lokaler Name | 1-(2-Benzoylethyl)piperidiniumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 20,3 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 215 |
| Schmelzpunkt | 192-193 °C(Solv: ethanol (64-17-5)acetone (67-64-1)) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| InChI | InChI=1S/C14H19NO.ClH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15/h1,3-4,7-8H,2,5-6,9-12H21H |
| InChIKey | XIROGEVVNHGHFZ-UHFFFAOYSA-N |
| SMILES | C1(C=CC=CC=1)C(=O)CCN1CCCCC1.Cl |
| CAS Datenbank | 886-06-6 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19900 |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (92.9%)Eye Dam. 1 (92.9%)STOT SE 3 (92.9%) |
| Zollcode | 2933399090 |
| Toxizität | LD50 intraperitoneal in mouse: 61mg/kg |
Anwendungen & Verwendung
Verwenden
3-Piperidinopropiophenone is a mono Mannich base derived from acetophenone with antibacterial, antifungal and antitumor activity. 3-Piperidinopropiophenone shows cytotoxicity againts Jurkat cells.