55242-55-2
| Name | PROPENTOFYLLINE |
| CAS | 55242-55-2 |
| Molecular Formula | C15H22N4O3 |
| MDL Number | MFCD00133785 |
| Molecular Weight | 306.36 |
| MOL File | 55242-55-2.mol |
Chemical Properties
| Appearance | Off-White Solid |
| Melting point | 64-66°C |
| Boiling point | 541.4±56.0 °C(Predicted) |
| density | 1.25±0.1 g/cm3(Predicted) |
| storage temp. | −20°C |
| solubility | H2O: soluble12.4mg/mL |
| form | solid |
| pka | 0.58±0.70(Predicted) |
| color | white |
| Water Solubility | H2O: 12.4mg/mL |
| InChI | 1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3 |
| InChIKey | RBQOQRRFDPXAGN-UHFFFAOYSA-N |
| SMILES | CCCn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| WGK Germany | 3 |
| RTECS | UO8438700 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral |
| Toxicity |