161468-32-2
| Name | 4-CYANO-3-METHYLISOQUINOLINE |
| CAS | 161468-32-2 |
| Molecular Formula | C11H8N2 |
| MDL Number | MFCD02179199 |
| Molecular Weight | 168.19 |
| MOL File | 161468-32-2.mol |
Chemical Properties
| Boiling point | 330.9±22.0 °C(Predicted) |
| density | 1.17±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Soluble in DMSO (50mg/ml) |
| form | solid |
| pka | 2.26±0.31(Predicted) |
| color | white |
| InChI | 1S/C11H8N2/c1-8-11(6-12)10-5-3-2-4-9(10)7-13-8/h2-5,7H,1H3 |
| InChIKey | SZWLGBJCLZDZBY-UHFFFAOYSA-N |
| SMILES | n1cc2c(c(c1C)C#N)cccc2 |