HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Uracil-4-acetic acid
Nsc13201 · uracil-6-ylaceticaci · Uracil-4-acetic acid · 6-CARBOXYMETHYLURACIL · uracil-6-ylacetic acid · 2-(2,6-dihydroxypyrimidin-4-yl)acetic acid · 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidineaceticaci · 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-acetic acid
Identifikatoren & physikalische Daten
| CAS No. | 4628-39-1 |
|---|---|
| Summenformel | C6H6N2O4 |
| Durchschnittliche Molmasse | 170,12 g/mol |
| Monoisotopische Masse | 170,03275668 g/mol |
| SMILES | O=C(O)Cc1cc(=O)[nH]c(=O)[nH]1 |
| InChIKey | NQAUNZZEYKWTHM-UHFFFAOYSA-N |
| PubChem CID | 73271 |
| ChEMBL | CHEMBL593503 |
| ChEBI | CHEBI:46371 |
| EC No. | 863-849-3 |
| DTXSID | DTXSID4063539 |
Chemische & physikalische Eigenschaften
| XLogP | -1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,5 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 281 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 187-189 °C(Solv: water (7732-18-5)) |
| Dichte | 1.479±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at room temperature |
| pKa (Säurekonstante) | 4.67±0.10(Predicted) |
| EPA chemische Informationen | 1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidineacetic acid (4628-39-1) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-acetic acid