HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-DL-prolinat
METHYL PYRROLIDINE-2-CARBOXYLATE · Methyl pyrrolidine-2-carboxylate HCL · Einecs 257-714-2 · DL-Proline methyl · (±)-Proline methyl · methylDL-prolinate · DL-Proline, Methyl ester · (-)-2-carboMethoxypyrrolidine
Identifikatoren & physikalische Daten
| CAS No. | 2133-40-6 |
|---|---|
| Summenformel | C6H11NO2 |
| Durchschnittliche Molmasse | 129,16 g/mol |
| Monoisotopische Masse | 129,07897859 g/mol |
| SMILES | COC(=O)C1CCCN1 |
| InChIKey | BLWYXBNNBYXPPL-UHFFFAOYSA-N |
| PubChem CID | 94239 |
| ChEMBL | CHEMBL75695 |
| EC No. | 257-714-2 |
| DTXSID | DTXSID60943883 |
| Lokaler Name | Methyl-DL-prolinat |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 114 |
| Siedepunkt | 169.9±33.0 °C(Predicted) |
| Dichte | 1.055±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 8.23±0.10(Predicted) |
| InChI | 1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3 |
| InChIKey | BLWYXBNNBYXPPL-UHFFFAOYSA-N |
| SMILES | COC(=O)C1CCCN1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| R-Sätze (R) | 22-41-51 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1 |
Anwendungen & Verwendung
Verwenden
Methyl Pyrrolidine-2-carboxylate,