HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Pyrrolidin-1-ylethanol
epolamine · AKOS MSC-0749 · PYRROLIDINOETHANOL · 2-PYRROLIDINOETHANOL · 1-PYRROLIDINOETHANOL · 1-PYRROLIDINEETHANOL · 2-Pyrrolizinoethanol · N-Hydroxypyrrolidine
Identifikatoren & physikalische Daten
| CAS No. | 2955-88-6 |
|---|---|
| Summenformel | C6H13NO |
| Durchschnittliche Molmasse | 115,17 g/mol |
| Monoisotopische Masse | 115,09971404 g/mol |
| SMILES | OCCN1CCCC1 |
| InChIKey | XBRDBODLCHKXHI-UHFFFAOYSA-N |
| PubChem CID | 76288 |
| ChEMBL | CHEMBL122581 |
| ChEBI | CHEBI:48293 |
| EC No. | 220-976-3 |
| DTXSID | DTXSID70183733 |
| Lokaler Name | 2-Pyrrolidin-1-ylethanol |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 59,5 |
| Schmelzpunkt | 205 °C (decomp) |
| Siedepunkt | 79-81 °C/13 mmHg (lit.) |
| Dichte | 0.985 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.473 |
| Flammpunkt | 133 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 14.74±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear slightly yellow to brown |
| Löslichkeit | Partly soluble in water. Soluble in alcohol, ether, benzene. |
| BRN | 102976 |
| InChI | InChI=1S/C6H13NO/c8-6-5-7-3-1-2-4-7/h8H,1-6H2 |
| InChIKey | XBRDBODLCHKXHI-UHFFFAOYSA-N |
| SMILES | N1(CCO)CCCC1 |
| CAS Datenbank | 2955-88-6(CAS DataBase Reference) |
| NIST chemische Informationen | N-«beta»-Hydroxyethylpyrrolidine(2955-88-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 06-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19816 |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29339900 |
| RTECS-Nr. | UY1175000 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs and is also used in medicine.