HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
1-Ethyl-6-aMinouracil · 1 Ethyl 6 aminouracil,1Ethyl6aminouracil · 6-Amino-1-ethylpyrimidine-2,4(1H,3H)-dione · 6-Amino-1-ethyl-2,4(1H,3H)-pyrimidinedione · 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-ethyl-
Identifikatoren & physikalische Daten
| CAS No. | 41862-09-3 |
|---|---|
| Summenformel | C6H9N3O2 |
| Durchschnittliche Molmasse | 155,15 g/mol |
| Monoisotopische Masse | 155,06947654 g/mol |
| SMILES | CCn1c(N)cc(=O)[nH]c1=O |
| InChIKey | QHEMDIZENXAVRQ-UHFFFAOYSA-N |
| PubChem CID | 853899 |
| ChEMBL | CHEMBL4095390 |
| EC No. | 667-716-9 |
| DTXSID | DTXSID70357513 |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 234 |
| Schmelzpunkt | 282 °C (decomp) |
| Dichte | 1.261±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 9.23±0.40(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
1-Ethyl-6-aminouracil, is an intermediate in the synthesis of a series of new substituted Xanthines which have high affinity and selectivity for the human adenosine A2B receptors, and thus can be used as clinical candidate for chronic inflammatory airway diseases.