9-Methylxanthine
Catalog No: FT-0693003
CAS No: 1198-33-0
- Chemical Name: 9-Methylxanthine
- Molecular Formula: C6H6N4O2
- Molecular Weight: 166.14
- InChI Key: DHNIKYWYTSMDDA-UHFFFAOYSA-N
- InChI: InChI=1S/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12)
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| FW: | 166.13700 |
|---|---|
| CAS: | 1198-33-0 |
| Melting_Point: | >300ºC |
| Bolling_Point: | N/A |
| MF: | C6H6N4O2 |
| Product_Name: | 9-methyl-3H-purine-2,6-dione |
| Flash_Point: | N/A |
| Density: | 1.83g/cm3 |
| FW: | 166.13700 |
|---|---|
| MF: | C6H6N4O2 |
| Computational_Chemistry: | ['1. XlogP :-08 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :9 ', '6. TPSA 76 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :242 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Refractive_Index: | 1.827 |
| PSA: | 83.54000 |
| Exact_Mass: | 166.04900 |
| Melting_Point: | >300ºC |
| Density: | 1.83g/cm3 |
| Molecular_Structure: | ['1 . Molar refractive index 3973 ', '2 . Molar volume 906 ', '3 . Parachor （902K）2736 ', '4 . Surface tension 828 ', '5 . Polarizability 1575'] |
| More_Info: | ['1. Melting point（°C）>300'] |
| WGK_Germany: | 3 |
|---|---|
| Risk_Statements(EU): | R26/27/28 |
| Hazard_Codes: | T+ |
| HS_Code: | 2933990090 |
| Safety_Statements: | 22-24/25 |
