Chemical Properties
| Melting point | 121.0 to 125.0 °C |
| Boiling point | 513.5±60.0 °C(Predicted) |
| Density | 1.373±0.06 g/cm3(Predicted) |
| form | powder to crystal |
| pka | 8.41±0.10(Predicted) |
| color | Light yellow to Yellow to Orange |
| InChI | InChI=1S/C12H17N5O3S/c1-16(2)21(18,19)10-4-3-9(11-12(10)15-20-14-11)17-7-5-13-6-8-17/h3-4,13H,5-8H2,1-2H3 |
| InChIKey | XFQLOSBBYVMBGT-UHFFFAOYSA-N |
| SMILES | N1=C2C(N3CCNCC3)=CC=C(S(N(C)C)(=O)=O)C2=NO1 |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| F | 9 |
| HS Code | 2935.90.9500 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |