HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Acetylpiperazin
1-(piperazin-1-yl)ethan-1-one · N-ACETYLPIPERAZINE · 1-AcetyL · AKOS BB-5737 · acetylpiperazine · N-aetylpiperazine · N-ACETY PIPERAZINE · 1-ACETYLPIPERAZINE
Identifikatoren & physikalische Daten
| CAS No. | 13889-98-0 |
|---|---|
| Summenformel | C6H12N2O |
| Durchschnittliche Molmasse | 128,17 g/mol |
| Monoisotopische Masse | 128,09496301 g/mol |
| SMILES | CC(=O)N1CCNCC1 |
| InChIKey | PKDPUENCROCRCH-UHFFFAOYSA-N |
| PubChem CID | 83795 |
| ChEMBL | CHEMBL2448844 |
| ChEBI | CHEBI:194598 |
| EC No. | 237-659-0 |
| DTXSID | DTXSID80160833 |
| Lokaler Name | 1-Acetylpiperazin |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 108 |
| Dissociation Constants | 7.9 |
| Schmelzpunkt | 31-34 °C (lit.) |
| Siedepunkt | 127 °C |
| Dichte | 1.0754 (rough estimate) |
| Brechungsindex | 1.4880 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | methanol: soluble1g/10 mL, clear, colorless to faintly greenish-yellowSoluble in water 210 g/L (20°C). |
| pKa (Säurekonstante) | 8.50±0.10(Predicted) |
| Aggregatzustand | Liquid After Melting |
| Farbe | Clear light yellow |
| BRN | 112220 |
| InChI | InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3 |
| InChIKey | PKDPUENCROCRCH-UHFFFAOYSA-N |
| SMILES | C(=O)(N1CCNCC1)C |
| CAS Datenbank | 13889-98-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (17.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 63 reports by companies from 8 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (98.4%)STOT SE 3 (17.5%) |
| F | 3-10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/38-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Acetylpiperazine may be used in the synthesis of series of 7-alkoxyl substituted indolizinoquinoline-5,12-dione derivatives and 2-substituted-N-(naphth-1-ylmethyl)-pyrimidin-4-amines and 2-substituted-N-benzhydrylpyrimidin-4-amines.