HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
D-(+)-Prolin
Proline · D-PRO · H-D-PRO-OH · D-Pro-OH · (R)-PYRROLIDINE-2-CARBOXYLIC ACID · (2R)-Pyrrolidine-2-carboxylic acid · D-PYRROLIDINE-2-CARBOXYLIC ACID · D-PyrroL
Identifikatoren & physikalische Daten
| CAS No. | 344-25-2 |
|---|---|
| Summenformel | C5H9NO2 |
| Durchschnittliche Molmasse | 115,13 g/mol |
| Monoisotopische Masse | 115,06332853 g/mol |
| SMILES | O=C(O)[C@H]1CCCN1 |
| InChIKey | ONIBWKKTOPOVIA-SCSAIBSYSA-N |
| PubChem CID | 8988 |
| ChEMBL | CHEMBL80257 |
| ChEBI | CHEBI:16313 |
| EC No. | 206-452-7 |
| DTXSID | DTXSID70883367 |
| Lokaler Name | D-(+)-Prolin |
Chemische & physikalische Eigenschaften
| XLogP | -2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 103 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 221 °C223 °C (dec.) (lit.) |
| Physical Description | Solid |
| Collision Cross Section | 122.49 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| Siedepunkt | 215.41°C (rough estimate) |
| Dichte | 1.36 |
| Brechungsindex | 85 ° (C=4, H2O) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Methanol (Slightly), Water (Sparingly)soluble >1000 g/L (20 ºC) |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 1.952(at 25℃) |
| Farbe | White to yellow to pale brown |
| BRN | 80811 |
| InChI | 1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 |
| InChIKey | ONIBWKKTOPOVIA-SCSAIBSYSA-N |
| SMILES | OC(=O)[C@H]1CCCN1 |
| LogP (Verteilungskoeffizient) | -0.060 (est) |
| CAS Datenbank | 344-25-2(CAS DataBase Reference) |
| EPA chemische Informationen | D-Proline (344-25-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 85.7% (12 of 14) of all reports.WarningH315 (14.3%): 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 14 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 01-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23252 |
| Hazard Classes and Categories | Skin Irrit. 2 (14.3%) |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339990 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-36/37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Occurrence
D-proline is an isomer of the naturally occurring amino acid, L-Proline. D-amino acids have been found in relatively high abundance in human plasma and saliva. These amino acids may be of bacterial origin, but there is also evidence that they are endogenously produced through amino acid racemase activity.
Verwenden
Labelled D-Proline Lasubine II and (+)-Cermizine C.