HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2746Erstellt: 27. Oktober 2026
Tacedinaline
acetyldinaline · 4-AcetaMido-N-(2-aMinophenyl)benzaMide · CI 994 · CS-617 · Cl-994 · Goe 5549 · PD 123654 · Tacedinaline
https://huagongshe.com/de/chemical/2746
Identifikatoren & physikalische Daten
| CAS No. | 112522-64-2 |
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| Summenformel | C15H15N3O2 |
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| Durchschnittliche Molmasse | 269,3 g/mol |
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| Monoisotopische Masse | 269,11642673 g/mol |
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| SMILES | CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1 |
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| InChIKey | VAZAPHZUAVEOMC-UHFFFAOYSA-N |
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| PubChem CID | 2746 |
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| ChEMBL | CHEMBL235191 |
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| ChEBI | CHEBI:90195 |
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| EC No. | 631-226-3 |
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| DTXSID | DTXSID60150095 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 84,2 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 351 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| LogP (Verteilungskoeffizient) | 0.82 |
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| Schmelzpunkt | 216.1 °C |
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| Siedepunkt | 450.6±30.0 °C(Predicted) |
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| Dichte | 1.322±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
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| Löslichkeit | Soluble in DMSO |
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| pKa (Säurekonstante) | 13.15±0.70(Predicted) |
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| Aggregatzustand | powder |
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| Farbe | off-white |
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| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month. |
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| InChI | 1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20) |
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| InChIKey | VAZAPHZUAVEOMC-UHFFFAOYSA-N |
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| SMILES | CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2N |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2924.29.7790 |
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| R-Sätze (R) | 36 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2 |
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