CAS 519-32-4|Isocaffeine
Introduction：Basic information about CAS 519-32-4|Isocaffeine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isocaffeine | ||
|---|---|---|---|
| CAS Number | 519-32-4 | Molecular Weight | 194.191 |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 416.8±37.0 °C at 760 mmHg |
| Molecular Formula | C8H10N4O2 | Melting Point | 288-290ºC (dec.) |
| MSDS | ChineseUSA | Flash Point | 205.9±26.5 °C |
Names
| Name | 1,3,9-trimethylpurine-2,6-dione |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 416.8±37.0 °C at 760 mmHg |
| Melting Point | 288-290ºC (dec.) |
| Molecular Formula | C8H10N4O2 |
| Molecular Weight | 194.191 |
| Flash Point | 205.9±26.5 °C |
| Exact Mass | 194.080383 |
| PSA | 61.82000 |
| LogP | -0.13 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.679 |
| InChIKey | LPHGQDQBBGAPDZ-UHFFFAOYSA-N |
| SMILES | Cn1c(=O)c2ncn(C)c2n(C)c1=O |
| Storage condition | Room temp |
| Water Solubility | H2O: >20mg/mL |
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2933990090 |
Customs
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Articles3
More Articles| Inhibition of inositol trisphosphate-induced calcium release by caffeine is prevented by ATP. Biochem. J. 300 , 81-84, (1994) We have investigated the effect of various methylxanthines on the basal and InsP3-stimulated unidirectional 45Ca2+ efflux from permeabilized A7r5 cells under different experimental conditions. We repo... | |
| Determination of caffeine and its metabolites in urine by high-performance liquid chromatography and capillary electrophoresis. Scand. J. Clin. Lab. Invest. 54 , 305-315, (1994) Caffeine (CA) and its 14 main metabolites were determined in urine by reversed-phase high-performance liquid chromatography (RP-HPLC) and capillary electrophoresis (CE). After addition of 1,3,9-trimet... | |
| Computational study of the binding modes of caffeine to the adenosine A2A receptor. J. Phys. Chem. B 115(47) , 13880-90, (2011) Using the recently solved crystal structure of the human adenosine A(2A) receptor, we applied MM/PBSA to compare the binding modes of caffeine with those of the high-affinity selective antagonist ZM24... |
Synonyms
| 1,3,9-Trimethylxanthine |
| MFCD00022834 |
| Isocaffeine |
| 1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione |
| 1,3,9-trimethyl-3,9-dihydro-purine-2,6-dione |
| 1,9-Trimethylxanthine |
| 1,3,9-Trimethyl-3,9-dihydro-purin-2,6-dion |
| EINECS 208-267-7 |
| 2,6-Dihydroxy-1,3,9-trimethylpurine |
| 1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl- |
| ISOCAFFIENE |
