(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-9-yl)-acetic acid
- Product Name(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-9-yl)-acetic acid
- CAS500542-20-1
- MFC9H10N4O4
- MW238.2
- EINECS
- MOL FileMol File
Chemical Properties
| Melting point | 115 °C |
| Boiling point | 555.7±56.0 °C(Predicted) |
| Density | 1+-.0.1 g/cm3(Predicted) |
| pka | 3.72±0.10(Predicted) |
| form | solid |
| InChI | 1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)10-4-13(7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15) |
| InChIKey | BGEGJDQJVUMDLU-UHFFFAOYSA-N |
| SMILES | O=C(N(C)C(N1C)=O)C2=C1N(CC(O)=O)C=N2 |
Safety Information
| Hazard Codes | Xi |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Irrit. 2 Skin Irrit. 2 |