HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Formylkynurenine
N'-Formylkynurenine · N-Formyl-L-kynurenine · Formylkyneurinine · Pinacolborane Impurity 37 · N-Formylkynurenine (Standard) · 3-[2-(Formylamino)benzoyl]-L-alanine · 2-amino-4-(2-formamidophenyl)-4-oxo-butanoic acid · α-Amino-2-(formylamino)-γ-oxobenzenebutanoic acid
Identifikatoren & physikalische Daten
| CAS No. | 1022-31-7 |
|---|---|
| Summenformel | C11H12N2O4 |
| Durchschnittliche Molmasse | 236,22 g/mol |
| Monoisotopische Masse | 236,07970687 g/mol |
| SMILES | NC(CC(=O)c1ccccc1NC=O)C(=O)O |
| InChIKey | BYHJHXPTQMMKCA-UHFFFAOYSA-N |
| PubChem CID | 910 |
| ChEBI | CHEBI:18377 |
| DTXSID | DTXSID10862515 |
Chemische & physikalische Eigenschaften
| XLogP | -2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 109 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 306 |
| Physical Description | Solid |
| Schmelzpunkt | 169-170 °C |
| Siedepunkt | 563.4±50.0 °C(Predicted) |
| Dichte | 1.394±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Hygroscopic, Refrigerator, under inert atmosphere |
| Löslichkeit | Aqueous Base (Slightly), DMSO (Slightly, Heated), Methanol (Slightly, Heated, Sonicated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.17±0.23(Predicted) |
| Farbe | Off-White to Dark Beige |
| Stabilität | Hygroscopic |
Anwendungen & Verwendung
Verwenden
N''-Formylkynurenine is a photooxidation product of Tryptophan (T947200), and is also used as a photosensitizer of near-ultraviolet radiation by generating singlet oxygen and superoxide.