Introduction：Basic information about CAS 117490-40-1|Theobromine-d6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Theobromine-d6 |
|---|
| CAS Number | 117490-40-1 | Molecular Weight | 186.20100 |
|---|
| Density | / | Boiling Point | / |
|---|
| Molecular Formula | C7H2D6N4O2 | Melting Point | >300ºC |
|---|
| MSDS | ChineseUSA | Flash Point | / |
|---|
| Symbol |
GHS07 | Signal Word | Warning |
|---|
Names
| Name | 3,7-bis(trideuteriomethyl)purine-2,6-dione |
|---|
| Synonym | More Synonyms |
|---|
Theobromine-d6 BiologicalActivity
Chemical & Physical Properties
| Melting Point | >300ºC |
|---|
| Molecular Formula | C7H2D6N4O2 |
|---|
| Molecular Weight | 186.20100 |
|---|
| Exact Mass | 186.10200 |
|---|
| PSA | 72.68000 |
|---|
| Index of Refraction | 1.737 |
|---|
| InChIKey | YAPQBXQYLJRXSA-WFGJKAKNSA-N |
|---|
| SMILES | Cn1cnc2c1c(=O)[nH]c(=O)n2C |
|---|
| Storage condition | -20°C |
|---|
Safety Information
| Symbol |
GHS07 |
|---|
| Signal Word | Warning |
|---|
| Hazard Statements | H302 |
|---|
| Hazard Codes | Xi |
|---|
| RIDADR | NONH for all modes of transport |
|---|
Synonyms
| 3,7-Dimethylxanthine-d6 |
| Theobromine-d6 |
| Teobromin-d6 |
| Santheose-d6 |
| Thesal-d6 |
| Diurobromine-d6 |
