4-(4-Chlorobenzyl)-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)-4-Piperidinamine
Properties
| Property | Value |
|---|---|
| Formula | C18H20ClN5 |
| IUPAC Name | 4-[(4-chlorophenyl)methyl]-1-pyrrolo[2,3-d]pyrimidin-7-ium-4-ylium-4-yl-piperidin-4-amine |
| Molecular Mass | 341.838 g·mol−1 |
| Heat of Formation | 277.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.51 ± 1.08 D |
| Volume | 399.35 Å 3 |
| Surface Area | 344.44 Å 2 |
| HOMO Energy | -8.54 ± 0.55 eV |
| LUMO Energy | -0.30 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RZIDZIGAXXNODG-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 Cl |