HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-[[[2,6-Di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
4-hydroxybenzaldehyde (2,6-dipiperidin-1-ylpyrimidin-4-yl)hydrazone
![4-[[[2,6-Di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol molecular structure](/img/chemical/178934049.png)
Identifiers & Physical Properties
| CAS No. | 345615-21-6 |
|---|---|
| Molecular formula | C21H28N6O |
| Average molar mass | 380.5 g/mol |
| SMILES | Oc1ccc(C=NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 |
| InChIKey | RZTXIJVALUREEX-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.4 |
|---|---|
| Topological polar surface area | 76.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 5 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 483 |
| Boiling point | 629.763±65.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.293±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 8.497±0.30(predicted) |