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1,4-Diethylpiperazin
DEPP · TIMTEC-BB SBB008748 · 1,4-Diethylpiperazine · N,N'-DIETHYLPIPERAZINE · N,N’-Diethyl piperizine · Abemaciclib Impurity 92 · Piperazine, 1,4-diethyl- · 1,4-Diethylpiperazine,98%
Identifikatoren & physikalische Daten
| CAS No. | 6483-50-7 |
|---|---|
| Summenformel | C8H18N2 |
| Durchschnittliche Molmasse | 142,24 g/mol |
| Monoisotopische Masse | 142,14699858 g/mol |
| SMILES | CCN1CCN(CC)CC1 |
| InChIKey | DDPRYTUJYNYJKV-UHFFFAOYSA-N |
| PubChem CID | 80973 |
| EC No. | 229-341-5 |
| DTXSID | DTXSID5073373 |
| Lokaler Name | 1,4-Diethylpiperazin |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 6,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 73,3 |
| Siedepunkt | 156-158 °C |
| Dichte | 0.9 |
| Brechungsindex | 1.453-1.455 |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in methanol, toluene. |
| pKa (Säurekonstante) | 8.20±0.10(Predicted) |
| InChI | InChI=1S/C16H21NO3.ClH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H31H/t12-,13+,14+,15 |
| InChIKey | DDPRYTUJYNYJKV-UHFFFAOYSA-N |
| SMILES | N1(CCN(CC1)CC)CC |
| CAS Datenbank | 6483-50-7(CAS DataBase Reference) |
| EPA chemische Informationen | Piperazine, 1,4-diethyl- (6483-50-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (20%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (20%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29335995 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1,4-Diethylpiperazine is used as pharmaceutical intermediate.