5-{3-[3-(1,3-Benzodioxol-5-Yl)-5-Methoxyphenyl]-1-Propyn-1-Yl}-6-Ethyl-2,4-Pyrimidinediamine
Properties
| Property | Value |
|---|---|
| Formula | C23H22N4O3 |
| IUPAC Name | 5-[3-[3-(1,3-benzodioxol-5-yl)-5-methoxy-phenyl]prop-1-ynyl]-6-ethyl-pyrimidine-2,4-diamine |
| Molecular Mass | 402.446 g·mol−1 |
| Heat of Formation | 25.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.31 ± 1.08 D |
| Volume | 480.46 Å 3 |
| Surface Area | 408.93 Å 2 |
| HOMO Energy | -8.50 ± 0.55 eV |
| LUMO Energy | 2.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DEWBMLVREOXAJX-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |