ChemSpider 2D Image | 1-Methyl-4-piperidinyl 2,4-dinitrobenzoate | C13H15N3O6

1-Methyl-4-piperidinyl 2,4-dinitrobenzoate

  • Molecular FormulaC13H15N3O6
  • Average mass309.275 Da
  • Monoisotopic mass309.096100 Da
  • ChemSpider ID21107463

More details:

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

1-Methyl-4-piperidinyl 2,4-dinitrobenzoate [ACD/IUPAC Name]
1-Methyl-4-piperidinyl-2,4-dinitrobenzoat [German] [ACD/IUPAC Name]
2,4-Dinitrobenzoate de 1-méthyl-4-pipéridinyle [French] [ACD/IUPAC Name]
4-Piperidinol, 1-methyl-, 2,4-dinitrobenzoate (ester) [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: 440.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 220.1±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 74.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.96
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 8.86
ACD/KOC (pH 7.4): 128.60
Polar Surface Area: 121 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 219.7±5.0 cm3

Click to predict properties on the Chemicalize site


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