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1,4-Diaminoanthrachinon
DISPERSE VIOLET 1 · 1,4-DIAMINOANTHRAQUINONE · 1,4-diaminoanthracene-9,10-dione · CI 61100 · 1,4-diamino-9,10-anthracenedione · NSC 7833 · NSC 63807 · oilvioletr
Identifikatoren & physikalische Daten
| CAS No. | 128-95-0 |
|---|---|
| Summenformel | C14H10N2O2 |
| Durchschnittliche Molmasse | 238,24 g/mol |
| Monoisotopische Masse | 238,07422757 g/mol |
| SMILES | Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O |
| InChIKey | FBMQNRKSAWNXBT-UHFFFAOYSA-N |
| PubChem CID | 31420 |
| ChEMBL | CHEMBL86771 |
| EC No. | 204-922-6 |
| DTXSID | DTXSID2041252 |
| Lokaler Name | 1,4-Diaminoanthrachinon |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 86,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 346 |
| Schmelzpunkt | 265-269 °C(lit.) |
| Siedepunkt | 380.84°C (rough estimate) |
| Dichte | 1.44 g/cm3 (20℃) |
| Dampfdruck | <1 hPa (25 °C) |
| Brechungsindex | 1.6500 (estimate) |
| Flammpunkt | 340 °C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Soluble in benzene, pyridine, the difficulties, slightly soluble in hot aniline acetate, ethanol.228.7ug/L(25 ºC) |
| pKa (Säurekonstante) | 1.17±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Dark Violet to Black |
| pH | 7 (H2O, 20℃) |
| BRN | 2216556 |
| Henry-Konstante | 2.1×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Stabilität | Light Sensitive |
| Kosmetik-Inhaltsstoffe Funktionen | COLORANTHAIR DYEING |
| InChI | 1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2 |
| InChIKey | FBMQNRKSAWNXBT-UHFFFAOYSA-N |
| SMILES | Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12 |
| LogP (Verteilungskoeffizient) | 3.000 |
| CAS Datenbank | 128-95-0(CAS DataBase Reference) |
| NIST chemische Informationen | 1,4-Diaminoanthraquinone(128-95-0) |
| EPA chemische Informationen | 1,4-Diaminoanthraquinone (128-95-0) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 2 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29223990 |
| RTECS-Nr. | CB6300000 |
| R-Sätze (R) | 22 |
| Toxizität | LD50 orally in Rabbit: 5790 mg/kg |
| Sicherheitshinweise (S) | 22-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Skin Sens. 1 |
| Selbstentzündungstemperatur | >400 °C |
Anwendungen & Verwendung
Verwenden
As an anthraquinone derivative, 1,4-Diamino anthraquinone is a potent and selective protein kinase CK1 delta inhibitor. Studies suggest that it has potential solar cell applications. 1,4-Diamino anthraquinone can be used in studies as a potential competitive non-peptidic inhibitor of HIV-1 proteinase.