54239-37-1
| Name | CIMATEROL |
| CAS | 54239-37-1 |
| Molecular Formula | C12H17N3O |
| MDL Number | MFCD00209815 |
| Molecular Weight | 219.28 |
| MOL File | 54239-37-1.mol |
Chemical Properties
| Melting point | 162-164?C |
| Boiling point | 436.6±45.0 °C(Predicted) |
| density | 1.14±0.1 g/cm3(Predicted) |
| RTECS | DI2457930 |
| storage temp. | Store at RT |
| solubility | Soluble in ethanol or DMSO |
| form | neat |
| pka | 13.75±0.20(Predicted) |
| color | White to Off-White |
| BRN | 2418129 |
| Major Application | clinical testing |
| InChI | 1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3 |
| InChIKey | BUXRLJCGHZZYNE-UHFFFAOYSA-N |
| SMILES | CC(C)NCC(O)c1ccc(N)c(c1)C#N |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H317-H319 |
| Precautionary statements | P261-P264-P280-P301+P312-P302+P352-P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 29269090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Sens. 1 |