19977-12-9

19977-12-9 structure
19977-12-9 structure

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