HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Piperidin-2-ylmethanol
2-PIPERIDINEMETHANOL · 2-Piperidine · 2-piperidinomethanol · 2-(Hydroxymethyl)pip · 2-Piperidinecarbinol · 2-PIPERIDINYLMETHANOL · (2-Piperidyl)methanol · Piperidine-2-methanol
Identifikatoren & physikalische Daten
| CAS No. | 3433-37-2 |
|---|---|
| Summenformel | C6H13NO |
| Durchschnittliche Molmasse | 115,17 g/mol |
| Monoisotopische Masse | 115,09971404 g/mol |
| SMILES | OCC1CCCCN1 |
| InChIKey | PRAYXGYYVXRDDW-UHFFFAOYSA-N |
| PubChem CID | 94263 |
| EC No. | 222-333-2 |
| DTXSID | DTXSID70871027 |
| Lokaler Name | Piperidin-2-ylmethanol |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 65,5 |
| Stoffklassen | Nitrogen Compounds -> Amino Alcohols, Other |
| Physical Description | Solid[Aldrich MSDS] |
| Schmelzpunkt | 68-70 °C (lit.) |
| Siedepunkt | 100-102°C (6 mmHg) |
| Dichte | 0.9837 (rough estimate) |
| Brechungsindex | 1.4775 (estimate) |
| Flammpunkt | 68-70°C(lit.) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in MethanolSlightly soluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 15.08±0.10(Predicted) |
| Farbe | White to pale yellow |
| InChI | InChI=1S/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2 |
| InChIKey | PRAYXGYYVXRDDW-UHFFFAOYSA-N |
| SMILES | N1CCCCC1CO |
| CAS Datenbank | 3433-37-2(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Piperidinemethanol(3433-37-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (92.7%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2-Piperidinemethanol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (92.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3263 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Piperidinemethanol was used in the synthesis of 3-phenyloctahydropyrido[2,1-c][1,4]oxazine hydrochloride and the 10R and 10S diastereomers.