HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Oxo-DL-prolin
2-PYRROLIDONE-5-CARBOXYLIC ACID · H-DL-PYR-OH · DL-Pyr-OH · 5-OXO-DL-PROLINE · DL-Proline, 5-oxo- · DL-PYR · DL- pGlu-OH · DL-5-Oxoproline
Identifikatoren & physikalische Daten
| CAS No. | 149-87-1 |
|---|---|
| Summenformel | C5H7NO3 |
| Durchschnittliche Molmasse | 129,11 g/mol |
| Monoisotopische Masse | 129,04259308 g/mol |
| SMILES | O=C1CCC(C(=O)O)N1 |
| InChIKey | ODHCTXKNWHHXJC-UHFFFAOYSA-N |
| PubChem CID | 499 |
| ChEBI | CHEBI:16010 |
| EC No. | 205-748-3 |
| DTXSID | DTXSID80859174 |
| Lokaler Name | 5-Oxo-DL-prolin |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 154 |
| Schmelzpunkt | 183-185 °C(lit.) |
| Siedepunkt | 239.15°C (rough estimate) |
| Dichte | 1.3816 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.4220 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | 52g/l5.67 g/100 mL (20 ºC) |
| pKa (Säurekonstante) | 3.48±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| pH | 1.7 (50g/l, H2O, 20℃) |
| BRN | 82131 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) |
| InChIKey | ODHCTXKNWHHXJC-UHFFFAOYSA-N |
| SMILES | OC(=O)C1CCC(=O)N1 |
| LogP (Verteilungskoeffizient) | 0.065 at 21.1℃ |
| CAS Datenbank | 149-87-1(CAS DataBase Reference) |
| NIST chemische Informationen | DL-5-Oxoproline(149-87-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 54.5% (60 of 110) of all reports.WarningH302 (36.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 110 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: DL-Proline, 5-oxo-Status: Active Update: 19-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23377Proline, 5-oxo-: Non hazardous |
| Weitere Sicherheitsinformationen | IMAP assessments - DL-Proline, 5-oxo-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (36.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29337900 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
DL-Pyroglutamic acid is used in the preparation of AZT steroid conjugates as potent anti-HIV agents.