ChemSpider 2D Image | 1-(2-{4-[(Dimethylamino)acetyl]-1-piperazinyl}-2-oxoethyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C17H25N7O4

1-(2-{4-[(Dimethylamino)acetyl]-1-piperazinyl}-2-oxoethyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC17H25N7O4
  • Average mass391.425 Da
  • Monoisotopic mass391.196808 Da
  • ChemSpider ID30053557

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2-{4-[(Dimethylamino)acetyl]-1-piperazinyl}-2-oxoethyl)-3,7-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-(2-{4-[(Dimethylamino)acetyl]-1-piperazinyl}-2-oxoethyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-(2-{4-[2-(Diméthylamino)acétyl]-1-pipérazinyl}-2-oxoéthyl)-3,7-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 1-[2-[4-[2-(dimethylamino)acetyl]-1-piperazinyl]-2-oxoethyl]-3,7-dihydro-3,7-dimethyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 680.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.5±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -3.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 102 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 275.7±7.0 cm3

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