HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Piperazin-1-ylpropanol
1-Piperazinepropano · 1-PIPERAZINEPROPANOL · piperazin-1-ylpropan-ol · 1-Piperazine-1-propanol · 1-Piperazinepropanol 97% · 1-Piperazinepropanol,98% · 3-(1-Piperazinyl)propanol · 3-PIPERAZIN-1-YLPROPAN-1-OL
Identifikatoren & physikalische Daten
| CAS No. | 5317-32-8 |
|---|---|
| Summenformel | C7H16N2O |
| Durchschnittliche Molmasse | 144,21 g/mol |
| Monoisotopische Masse | 144,12626313 g/mol |
| SMILES | OCCCN1CCNCC1 |
| InChIKey | LWEOFVINMVZGAS-UHFFFAOYSA-N |
| PubChem CID | 79207 |
| ChEMBL | CHEMBL4552088 |
| EC No. | 226-176-0 |
| DTXSID | DTXSID20201234 |
| Lokaler Name | Piperazin-1-ylpropanol |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 81,7 |
| Schmelzpunkt | 49-53 °C (lit.) |
| Siedepunkt | 94-96°C/1.8mm |
| Dichte | 0.993±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 15.10±0.10(Predicted) |
| Aggregatzustand | solid |
| Farbe | Colourless ified liquid |
| InChI | 1S/C7H16N2O/c10-7-1-4-9-5-2-8-3-6-9/h8,10H,1-7H2 |
| InChIKey | LWEOFVINMVZGAS-UHFFFAOYSA-N |
| SMILES | OCCCN1CCNCC1 |
| CAS Datenbank | 5317-32-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (11.6%): Causes skin irritation [Warning Skin corrosion/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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (11.6%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29335990 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Reactant for preparation of biologically active molecules:Preparation of chloropyridazine piperazines as human rhinovirus (HRV-3) inhibitorsSynthesis of arylbenzoylpyrrolidine derivatives and their Hsp90 inhibitory activitySynthesis of pyrrolothienopyrazines as novel serotonin-4 receptors antagonistsPreparation of carbamate-functionalized 2,6-disubstituted N-(arylsulfonyl) piperidines as conformationally restricted and orally active γ-secretase inhibitors