HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Dibutylxanthine
SC 2732 · NSC 515484 · 1,3-DIBUTYLXANTHINE · 1,3-Di-n-butylxanthine · LABOTEST-BB LT01148487 · 1,3-dibutyl-7H-purine-2,6-dione · 1,3-dibutyl-7H-purine-2,6-quinone · 1,3-Dibutyl-1H-purine-2,6(3H,7H)-dione
Identifikatoren & physikalische Daten
| CAS No. | 2850-36-4 |
|---|---|
| Summenformel | C13H20N4O2 |
| Durchschnittliche Molmasse | 264,32 g/mol |
| Monoisotopische Masse | 264,15862588 g/mol |
| SMILES | CCCCn1c(=O)c2[nH]cnc2n(CCCC)c1=O |
| InChIKey | HDAPVDGMACVEKL-UHFFFAOYSA-N |
| PubChem CID | 101421 |
| ChEMBL | CHEMBL114770 |
| EC No. | 112-045-4 |
| DTXSID | DTXSID70182721 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 348 |
| Schmelzpunkt | 185-188°C |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | Beige |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, 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%) |
| R-Sätze (R) | 20/21/22 |
| Sicherheitshinweise (S) | 22-36/37/39 |
Anwendungen & Verwendung
Verwenden
Denbefylline intermediate