HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
D-tert-leucine
(R)-2-AMino-3,3-diMethylbutanoic acid · D-TERT-LEUCINE · D-Tle · D-Tle-OH · (R)-TERT-LEUCINE · D-Valine, 3-methyl- · D-tert-L · H-D-TLE-OH
Identifikatoren & physikalische Daten
| CAS No. | 26782-71-8 |
|---|---|
| Summenformel | C6H13NO2 |
| Durchschnittliche Molmasse | 131,17 g/mol |
| Monoisotopische Masse | 131,09462866 g/mol |
| SMILES | CC(C)(C)[C@@H](N)C(=O)O |
| InChIKey | NPDBDJFLKKQMCM-BYPYZUCNSA-N |
| PubChem CID | 6950340 |
| EC No. | 607-998-2 |
| DTXSID | DTXSID30426193 |
Chemische & physikalische Eigenschaften
| XLogP | -1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 115 |
| Collision Cross Section | 131.4 Ų [M-H]- |
| Schmelzpunkt | ≥300 °C (lit.) |
| Siedepunkt | 217.7±23.0 °C(Predicted) |
| Dichte | 1.038±0.06 g/cm3(Predicted) |
| Brechungsindex | 9 ° (C=3, H2O) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Acetic Acid (Slightly), Water (Sparingly)Soluble in water. |
| pKa (Säurekonstante) | 2.39±0.12(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 1721825 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1 |
| InChIKey | NPDBDJFLKKQMCM-BYPYZUCNSA-N |
| SMILES | CC(C)(C)[C@@H](N)C(O)=O |
| CAS Datenbank | 26782-71-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29224995 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
D-tert-Leucine is used for synthesis of amino acids e.g. in the synthesis of aldehydes by double alkylation of unsaturated aldimines of tert-Leu esters.