N~4~-(5-Chloro-1,3-Benzodioxol-4-Yl)-N~2~-[3-(4-Morpholinyl)Phenyl]-2,4-Pyrimidinediamine
Properties
| Property | Value |
|---|---|
| Formula | C21H20ClN5O3 |
| IUPAC Name | n4-(5-chloro-1,3-benzodioxol-4-yl)-n2-(3-morpholinophenyl)pyrimidine-2,4-diamine |
| Molecular Mass | 425.868 g·mol−1 |
| Heat of Formation | -44.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.16 ± 1.08 D |
| Volume | 458.4 Å 3 |
| Surface Area | 413.96 Å 2 |
| HOMO Energy | -8.26 ± 0.55 eV |
| LUMO Energy | 2.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PNEWIQAEGKQNCE-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |