ChemSpider 2D Image | 3-Methyl-N-(4-nitrobenzyl)-N-({1-[4-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)-1-butanamine | C25H28F3N3O2

3-Methyl-N-(4-nitrobenzyl)-N-({1-[4-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)-1-butanamine

  • Molecular FormulaC25H28F3N3O2
  • Average mass459.504 Da
  • Monoisotopic mass459.213348 Da
  • ChemSpider ID21567399

More details:

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

1H-Pyrrole-2-methanamine, N-(3-methylbutyl)-N-[(4-nitrophenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
3-Methyl-N-(4-nitrobenzyl)-N-({1-[4-(trifluormethyl)benzyl]-1H-pyrrol-2-yl}methyl)-1-butanamin [German] [ACD/IUPAC Name]
3-Methyl-N-(4-nitrobenzyl)-N-({1-[4-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)-1-butanamine [ACD/IUPAC Name]
3-Méthyl-N-(4-nitrobenzyl)-N-({1-[4-(trifluorométhyl)benzyl]-1H-pyrrol-2-yl}méthyl)-1-butanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 270.0±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 123.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 298.96
ACD/KOC (pH 5.5): 532.50
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 13402.78
ACD/KOC (pH 7.4): 23872.57
Polar Surface Area: 54 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 388.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement