HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 646648Erstellt: 4. November 2026
1,3-Dimethyl-8-(4-methyl-piperazin-1-ylmethyl)-7-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione
1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione · 1,3-DIMETHYL-8-[(4-METHYL-1-PIPERAZINYL)METHYL]-7-(3-PHENYLPROPYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE · 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-[(4-methyl-1-piperazinyl)methyl]-7-(3-phenylpropyl)-
https://huagongshe.com/de/chemical/646648
Identifikatoren & physikalische Daten
| CAS No. | 577960-29-3 |
|---|
| Summenformel | C22H30N6O2 |
|---|
| Durchschnittliche Molmasse | 410,5 g/mol |
|---|
| Monoisotopische Masse | 410,24302422 g/mol |
|---|
| SMILES | CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1 |
|---|
| InChIKey | VTKABFDTNQRXDU-UHFFFAOYSA-N |
|---|
| PubChem CID | 646648 |
|---|
| ChEMBL | CHEMBL1530811 |
|---|
| EC No. | 120-418-8 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|
| Polarare Oberfläche (TPSA) | 64,9 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 5 |
|---|
| Frei drehbare Bindungen | 6 |
|---|
| Schwere Atome | 30 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 617 |
|---|
| Siedepunkt | 607.1±65.0 °C(Predicted) |
|---|
| Dichte | 1.27±0.1 g/cm3(Predicted) |
|---|
| pKa (Säurekonstante) | 7.49±0.10(Predicted) |
|---|
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%) |
|---|
