8-Cyclopentyl-1,3-dimethylxanthine
Bezeichnung:8-Cyclopentyl-1,3-dimethylxanthine
CAS-Nr35873-49-5
Englisch Name:8-Cyclopentyl-1,3-dimethylxanthine
CBNumberCB8221663
SummenformelC12H16N4O2
Molgewicht248.28
MOL-Datei35873-49-5.mol
8-Cyclopentyl-1,3-dimethylxanthine physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 250-252°C |
| Siedepunkt | 513.1±42.0 °C(Predicted) |
| Dichte | 1.332±0.06 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| Löslichkeit | H2O: <0.28 mg/mL, slightly soluble |
| Aggregatzustand | crystalline |
| pka | 8.91±0.70(Predicted) |
| Farbe | white or off-white |
| Wasserlöslichkeit | Soluble in 0.1M NaOH. Slightly soluble in water. Also soluble in DMSO at 16mg/ml at 60°C. |
| Stabilität | Store in freezer; Solutions at 4°C stable for several days |
| InChI | 1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14) |
| InChIKey | SCVHFRLUNIOSGI-UHFFFAOYSA-N |
| SMILES | CN1C(=O)N(C)c2nc([nH]c2C1=O)C3CCCC3 |