200484-11-3
| Name | CHS-828 |
| CAS | 200484-11-3 |
| Molecular Formula | C19H22ClN5O |
| MDL Number | MFCD03700766 |
| Molecular Weight | 371.86 |
| MOL File | 200484-11-3.mol |
Chemical Properties
| Melting point | 166-168°C |
| Boiling point | 532.1±58.0 °C(Predicted) |
| density | 1.18±0.1 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Store in freezer, under -20°C |
| solubility | DMSO: soluble20mg/mL, clear |
| form | powder |
| pka | 7.36±0.10(Predicted) |
| color | white to beige |
| Stability: | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months. |
| InChI | 1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25) |
| InChIKey | BOIPLTNGIAPDBY-UHFFFAOYSA-N |
| SMILES | Clc1ccc(cc1)OCCCCCCN\C(=N\C#N)\Nc2ccncc2 |
Safety Data
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |