HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pipamperone
FPA · Piperonyl · D02622 · R 3345 · Propitan · Dipiperon · Dipiperal · piperonil
Identifikatoren & physikalische Daten
| CAS No. | 1893-33-0 |
|---|---|
| Summenformel | C21H30FN3O2 |
| Durchschnittliche Molmasse | 375,5 g/mol |
| Monoisotopische Masse | 375,23220537 g/mol |
| SMILES | NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 |
| InChIKey | AXKPFOAXAHJUAG-UHFFFAOYSA-N |
| PubChem CID | 4830 |
| ChEMBL | CHEMBL440294 |
| ChEBI | CHEBI:78549 |
| EC No. | 606-172-9 |
| DTXSID | DTXSID8048369 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 506 |
| LogP (Verteilungskoeffizient) | 2.02 |
| Löslichkeit | soluble in methanolH2O: ~50 mg/mL81.7mg/L at 25℃ |
| Schmelzpunkt | >254126°C(lit.) |
| Kovats Retention Index | 30903070 |
| Collision Cross Section | 192.6 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]194.1 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]194.65 Ų [M+Na]+ [CCS Type: TW191.8 Ų [M+H]+ [CCS Type: TW |
| Siedepunkt | 563.7±50.0 °C(Predicted) |
| Dichte | 1.1017 (estimate) |
| Lagerbedingungen | Store at -20°C |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 16.20±0.20(Predicted) |
| Farbe | white |
| Merck | 14,7455 |
| LogP (Verteilungskoeffizient) | 2.42 |
| EPA chemische Informationen | Pipamperone (1893-33-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P332+P317, P362+P364, P391, 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.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: 02-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18516 |
| Hazard Classes and Categories | Acute Tox. 3 (75%)Acute Tox. 4 (25%)Skin Irrit. 2 (25%)STOT SE 3 (25%)Aquatic Chronic 2 (50%) |
| Wassergefährdungsklasse (WGK) | 1 |
| UN-Transportnummer | UN 2811 6.1/PG III |
| Zollcode | 2933.39.3100 |
| RTECS-Nr. | DW1060000 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Antipsychotic.