19977-12-9
19977-12-9 structure
- Name: 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-isopr opylbenzyl)-, benzoate (ester)
- Chemical Name: [1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-2-yl] benzoate
- CAS Number: 19977-12-9
- Molecular Formula: C31H38N6O4
- Molecular Weight: 558.67100
- Create Date: 2018-06-26 12:04:05
- Modify Date: 2024-01-27 09:47:22
| Name | [1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-2-yl] benzoate |
|---|---|
| Synonyms |
Theophylline,7-(2-benzoyloxy-3-(4-(p-isopropylbenzyl)-1-piperazinyl)propyl)
1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)-3-{4-[4-(propan-2-yl)benzyl]piperazin-1-yl}propan-2-yl benzoate 7-{2-benzoyloxy-3-[4-(4-isopropyl-benzyl)-piperazin-1-yl]-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione |
| Density | 1.26g/cm3 |
|---|---|
| Boiling Point | 731.3ºC at 760mmHg |
| Molecular Formula | C31H38N6O4 |
| Molecular Weight | 558.67100 |
| Flash Point | 396.1ºC |
| Exact Mass | 558.29500 |
| PSA | 94.60000 |
| LogP | 2.47630 |
| Vapour Pressure | 3.03E-21mmHg at 25°C |
| Index of Refraction | 1.637 |