117490-39-8
117490-39-8 structure
- Name: Theophylline-d6
- Chemical Name: Theophylline-d6
- CAS Number: 117490-39-8
- Molecular Formula: C7H2D6N4O2
- Molecular Weight: 186.201
- Create Date: 2018-09-16 08:49:29
- Modify Date: 2025-08-22 00:23:03
| Name | Theophylline-d6 |
|---|---|
| Synonyms |
1,3-bis(trideuteriomethyl)-7H-purine-2,6-dione
Theophylline-D6 1H-Purine-2,6-dione, 3,7-dihydro-1,3-di(methyl-d)- 1,3-Bis[(H)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 454.1±37.0 °C at 760 mmHg |
| Molecular Formula | C7H2D6N4O2 |
| Molecular Weight | 186.201 |
| Flash Point | 228.4±26.5 °C |
| Exact Mass | 186.102386 |
| PSA | 72.68000 |
| LogP | -0.17 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.620 |
| Symbol |
GHS02, GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H301 + H311 + H331-H370 |
| Precautionary Statements | P210-P260-P280-P301 + P310-P311 |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |