ChemSpider 2D Image | [1-(Tetrahydro-2-furanylcarbonyl)-4-piperidinyl]methyl 3,5-dinitrobenzoate | C18H21N3O8

[1-(Tetrahydro-2-furanylcarbonyl)-4-piperidinyl]methyl 3,5-dinitrobenzoate

  • Molecular FormulaC18H21N3O8
  • Average mass407.375 Da
  • Monoisotopic mass407.132874 Da
  • ChemSpider ID67276037

More details:

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

[1-(Tetrahydro-2-furanylcarbonyl)-4-piperidinyl]methyl 3,5-dinitrobenzoate [ACD/IUPAC Name]
[1-(Tetrahydro-2-furanylcarbonyl)-4-piperidinyl]methyl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
3,5-Dinitrobenzoate de [1-(tétrahydro-2-furanylcarbonyl)-4-pipéridinyl]méthyle [French] [ACD/IUPAC Name]
Methanone, [4-[[(3,5-dinitrobenzoyl)oxy]methyl]-1-piperidinyl](tetrahydro-2-furanyl)- [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: 609.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.1±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.28
ACD/KOC (pH 5.5): 256.43
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.28
ACD/KOC (pH 7.4): 256.43
Polar Surface Area: 147 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 291.6±3.0 cm3

Click to predict properties on the Chemicalize site


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