Theophylline, 7-(2-benzoyloxy-3-(4-benzyl-1-piperazinyl)propyl)-

Modify Date: 2025-10-06 16:06:58

Theophylline, 7-(2-benzoyloxy-3-(4-benzyl-1-piperazinyl)propyl)- Structure
Theophylline, 7-(2-benzoyloxy-3-(4-benzyl-1-piperazinyl)propyl)- structure
Common Name Theophylline, 7-(2-benzoyloxy-3-(4-benzyl-1-piperazinyl)propyl)-
CAS Number 19977-09-4 Molecular Weight 516.59100
Density 1.3g/cm3 Boiling Point 717.5ºC at 760mmHg
Molecular Formula C28H32N6O4 Melting Point N/A
MSDS N/A Flash Point 387.8ºC

 Names

Name [1-(4-benzylpiperazin-1-yl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] benzoate

 Chemical & Physical Properties

Density 1.3g/cm3
Boiling Point 717.5ºC at 760mmHg
Molecular Formula C28H32N6O4
Molecular Weight 516.59100
Flash Point 387.8ºC
Exact Mass 516.24900
PSA 94.60000
LogP 1.35290
Vapour Pressure 1.94E-20mmHg at 25°C
Index of Refraction 1.655
InChIKey NQHSINYNYSHERB-UHFFFAOYSA-N
SMILES Cn1c(=O)c2c(ncn2CC(CN2CCN(Cc3ccccc3)CC2)OC(=O)c2ccccc2)n(C)c1=O
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