3-[4-(4-Chlorobenzyl)-1-piperazinyl]-1-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propan-2-ol benzoate structure
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Common Name | 3-[4-(4-Chlorobenzyl)-1-piperazinyl]-1-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propan-2-ol benzoate | ||
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| CAS Number | 19977-10-7 | Molecular Weight | 551.03700 | |
| Density | 1.36g/cm3 | Boiling Point | 737.4ºC at 760 mmHg | |
| Molecular Formula | C28H31ClN6O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 399.7ºC | |
| Name | 1-[4-(4-Chlorobenzyl)-1-piperazinyl]-3-(1,3-dimethyl-2,6-dioxo-1, 2,3,6-tetrahydro-7H-purin-7-yl)-2-propanyl benzoate |
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| Synonym | More Synonyms |
| Density | 1.36g/cm3 |
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| Boiling Point | 737.4ºC at 760 mmHg |
| Molecular Formula | C28H31ClN6O4 |
| Molecular Weight | 551.03700 |
| Flash Point | 399.7ºC |
| Exact Mass | 550.21000 |
| PSA | 94.60000 |
| LogP | 2.00630 |
| Vapour Pressure | 1.32E-21mmHg at 25°C |
| Index of Refraction | 1.662 |
| InChIKey | HTDHYKOYSYOANF-UHFFFAOYSA-N |
| SMILES | Cn1c(=O)c2c(ncn2CC(CN2CCN(Cc3ccc(Cl)cc3)CC2)OC(=O)c2ccccc2)n(C)c1=O |
| 3-[4-(m-Chlorobenzyl)-1-piperazinyl]-1-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propan-2-ol benzoate |
| 7-{2-benzoyloxy-3-[4-(4-chloro-benzyl)-piperazin-1-yl]-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione |
| 7-{2-benzoyloxy-3-[4-(3-chloro-benzyl)-piperazin-1-yl]-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione |