2-acetamido-3-methyl-3-(nitrososulfanyl)butanoic acid
- Product Name2-acetamido-3-methyl-3-(nitrososulfanyl)butanoic acid
- CAS67776-06-1
- MFC7H12N2O4S
- MW220.25
- EINECS
- MOL File67776-06-1.mol
Chemical Properties
| Melting point | 150.5°C |
| Density | 1.4261 (rough estimate) |
| refractive index | 1.5400 (estimate) |
| RTECS | YV9383000 |
| storage temp. | -20°C |
| solubility | H2O: ≥2 mg/mL |
| form | powder |
| pka | 3.06±0.10(Predicted) |
| color | green |
| Water Solubility | H2O: ≥2mg/mL DMSO: ≥20mg/mL, clear (faint green to very dark green) |
| InChI | 1S/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12) |
| InChIKey | ZIIQCSMRQKCOCT-UHFFFAOYSA-N |
| SMILES | CC(=O)NC(C(O)=O)C(C)(C)SN=O |
| CAS DataBase Reference | 67776-06-1(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
