ChemSpider 2D Image | 2-(4-Benzyl-1-piperazinyl)-2-oxoethyl 3,4,5-triacetoxybenzoate | C26H28N2O9

2-(4-Benzyl-1-piperazinyl)-2-oxoethyl 3,4,5-triacetoxybenzoate

  • Molecular FormulaC26H28N2O9
  • Average mass512.508 Da
  • Monoisotopic mass512.179504 Da
  • ChemSpider ID10902319

More details:

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

2-(4-Benzyl-1-piperazinyl)-2-oxoethyl 3,4,5-triacetoxybenzoate [ACD/IUPAC Name]
2-(4-Benzyl-1-piperazinyl)-2-oxoethyl-3,4,5-triacetoxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Triacétoxybenzoate de 2-(4-benzyl-1-pipérazinyl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-tris(acetyloxy)-, 2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.5±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 129.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 14.05
ACD/KOC (pH 5.5): 192.76
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.13
ACD/KOC (pH 7.4): 358.65
Polar Surface Area: 129 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 393.3±3.0 cm3

Click to predict properties on the Chemicalize site


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