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Piperazin-1,4-diethanol
2-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]ETHANOL · AKOS BB-4936 · 1,4-BIS(2-HYDROXYETH · 1,4-PIPERAZINEDIETHANOL · N,N'-PIPERAZINDIETHANOL · N,N'-PIPERAZINEDIETHANOL · piperazine-1,4-diethanol · Piperazine-1,4-bisethanol
Identifikatoren & physikalische Daten
| CAS No. | 122-96-3 |
|---|---|
| Summenformel | C8H18N2O2 |
| Durchschnittliche Molmasse | 174,24 g/mol |
| Monoisotopische Masse | 174,13682782 g/mol |
| SMILES | OCCN1CCN(CCO)CC1 |
| InChIKey | VARKIGWTYBUWNT-UHFFFAOYSA-N |
| PubChem CID | 67151 |
| ChEMBL | CHEMBL118235 |
| EC No. | 204-586-0 |
| DTXSID | DTXSID3029158 |
| Lokaler Name | Piperazin-1,4-diethanol |
Chemische & physikalische Eigenschaften
| XLogP | -1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 99,6 |
| Stoffklassen | Nitrogen Compounds -> Piperazines |
| SpringerMaterials Properties | Fusion temperature |
| Physical Description | LiquidWhite crystalline powder[Acros Organics MSDS] |
| Schmelzpunkt | 133.5-136 °C(lit.) |
| Siedepunkt | 215-220 °C50 mm Hg(lit.) |
| Dichte | 1.097 |
| Dampfdruck | 0.004Pa at 20℃ |
| Brechungsindex | 1.4540 (estimate) |
| Flammpunkt | 166℃ |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Soluble in water. |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 14.66±0.10(Predicted) |
| Farbe | White to Almost white |
| InChI | 1S/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2 |
| InChIKey | VARKIGWTYBUWNT-UHFFFAOYSA-N |
| SMILES | OCCN1CCN(CCO)CC1 |
| LogP (Verteilungskoeffizient) | -1.92 at 20℃ |
| CAS Datenbank | 122-96-3(CAS DataBase Reference) |
| EPA chemische Informationen | 1,4-Piperazinediethanol (122-96-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH318 (94.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 113 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 1,4-Piperazinediethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Piperazinediethanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: Piperazine-1,4-diethanol (EC: 204-586-0) |
| Gefahrenübersicht | A mild skin irritantOral LD50 (rat) = 3.73 mL/kgDermal LD50 (rabbit) > 10 mL/kg[RTECS] An irritant[Acros Organics MSDS] |
| Hazard Classes and Categories | Eye Dam. 1 (94.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933.59.9500 |
| RTECS-Nr. | TL3675000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Dam. 1 |
Anwendungen & Verwendung
Verwenden
1,4-Piperazinediethanol is useful in the synthesis of salt-inducible kinase inhibitors for the treatment of diseases.