HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
O-(Tetrahydropyran-2-yl)hydroxylamine
)-hydroxyL · O-(Tetrahydropyran-2-yL · O-(oxan-2-yl)hydroxylaMine · 2-(Aminooxy)tetrahydro-2H-pyran · O-2-tetrahydro-2H-pyranhydroxylamine · O-(TETRAHYDRO-PYRAN-2-YL)-HYDROXYLAMINE · O-tertrahydroxy-pyran-2-yl-hydroxylamine · O-(2H-Tetrahydropyran-2-yl)hydroxylamine
Identifikatoren & physikalische Daten
| CAS No. | 6723-30-4 |
|---|---|
| Summenformel | C5H11NO2 |
| Durchschnittliche Molmasse | 117,15 g/mol |
| Monoisotopische Masse | 117,07897859 g/mol |
| SMILES | NOC1CCCCO1 |
| InChIKey | NLXXVSKHVGDQAT-UHFFFAOYSA-N |
| PubChem CID | 5142091 |
| ChEMBL | CHEMBL1213808 |
| EC No. | 628-109-4 |
| DTXSID | DTXSID50408719 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 67,4 |
| Schmelzpunkt | 34-37 °C (lit.) |
| Siedepunkt | 81 °C/20 mmHg (lit.) |
| Dichte | 1.1274 (rough estimate) |
| Brechungsindex | 1.4206 (estimate) |
| Flammpunkt | 180 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 3.28±0.20(Predicted) |
| Aggregatzustand | Low Melting Solid |
| Farbe | White |
| InChI | InChI=1S/C5H11NO2/c6-8-5-3-1-2-4-7-5/h5H,1-4,6H2 |
| InChIKey | NLXXVSKHVGDQAT-UHFFFAOYSA-N |
| SMILES | NOC1OCCCC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 12.2% (6 of 49) of reports.WarningH315 (87.8%): 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (87.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29329990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine is used as an oximation reagent in the synthesis of a marine alkaloid which shows significant inhibitory activity against mycothiol S-conjugate amidase.