HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methyl-7-propylpurine-2,6-dione
SALOR-INT L305979-1EA · 3-Methyk-7-propylxanthine · 3-METHYL-7-PROPYLXANTHINE · 3-Methyl-7-n-propylxanthine · 3-Methyl-7-propylxanthine>3-methyl-7-propylpurine-2,6-dione · 3-METHYL-7-PROPYL-2,6-DIHYDROXYPURINE · 3-Methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione · 2-hydroxy-3-methyl-7-propyl-1,2-dihydropurin-6-one
Identifikatoren & physikalische Daten
| CAS No. | 55242-64-3 |
|---|---|
| Summenformel | C9H12N4O2 |
| Durchschnittliche Molmasse | 208,22 g/mol |
| Monoisotopische Masse | 208,09602564 g/mol |
| SMILES | CCCn1cnc2c1c(=O)[nH]c(=O)n2C |
| InChIKey | MHNVSFOURBQRPK-UHFFFAOYSA-N |
| PubChem CID | 3314397 |
| EC No. | 611-243-2 |
| DTXSID | DTXSID50391374 |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 294 |
| Schmelzpunkt | 250-252 °C |
| Dichte | 1.44±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Very Slightly, Heated, Sonicated), DMSO (Slightly, Heated, Sonicated |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.91±0.70(Predicted) |
| Farbe | White to Pale Yellow |
| CAS Datenbank | 55242-64-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Zollcode | 29339900 |
|---|
Anwendungen & Verwendung
Verwenden
A xanthine derivative, 3-Methyl-7-propylxanthine can be used in hair tonics compositions and as intermediate for vasodilator propentofylline.