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1-Methylpyrrolidin-3-ol
N-Methyl-3-pyrrolidinol · 3-HYDROXY-1-METHYLPYRROLIDINE · 1-METHYL-PYRROLIDIN-3-OL · NSC 89279 · 3-Hydroxy-1-methyL · N-Methyl-3-hydroxy- · 1-Methyl-3-pyrrolidi · N-methyl-3-pyrrolitol
Identifikatoren & physikalische Daten
| CAS No. | 13220-33-2 |
|---|---|
| Summenformel | C5H11NO |
| Durchschnittliche Molmasse | 101,15 g/mol |
| Monoisotopische Masse | 101,08406397 g/mol |
| SMILES | CN1CCC(O)C1 |
| InChIKey | FLVFPAIGVBQGET-UHFFFAOYSA-N |
| PubChem CID | 93074 |
| ChEMBL | CHEMBL4752499 |
| EC No. | 236-189-3 |
| DTXSID | DTXSID10864377 |
| Lokaler Name | 1-Methylpyrrolidin-3-ol |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 65,1 |
| Stoffklassen | Nitrogen Compounds -> Amino Alcohols, Other |
| Physical Description | Colorless or pale yellow liquid[Alfa Aesar MSDS] |
| Siedepunkt | 50-52 °C1 mm Hg(lit.) |
| Dichte | 0.921 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.464(lit.) |
| Flammpunkt | 159 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 14.95±0.20(Predicted) |
| Farbe | Colourless |
| InChI | InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3 |
| InChIKey | FLVFPAIGVBQGET-UHFFFAOYSA-N |
| SMILES | N1(C)CCC(O)C1 |
| CAS Datenbank | 13220-33-2(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Methyl-3-pyrrolidinol(13220-33-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.9% (1 of 53) of reports.WarningH315 (96.2%): 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 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 18-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/247863-Pyrrolidinol, 1-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (96.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Methyl-3-pyrrolidinol (cas# 13220-33-2) is a compound useful in organic synthesis.