ChemSpider 2D Image | Methyl [3,5-bis(trifluoromethyl)benzyl]({6-[3-buten-1-yl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl}methyl)carbamate | C27H30F6N2O2

Methyl [3,5-bis(trifluoromethyl)benzyl]({6-[3-buten-1-yl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl}methyl)carbamate

  • Molecular FormulaC27H30F6N2O2
  • Average mass528.530 Da
  • Monoisotopic mass528.221130 Da
  • ChemSpider ID8500106

More details:

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

[3,5-Bis(trifluorométhyl)benzyl]({6-[3-butén-1-yl(éthyl)amino]-2,3-dihydro-1H-indén-5-yl}méthyl)carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-(3-buten-1-ylethylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-, methyl ester [ACD/Index Name]
Methyl [3,5-bis(trifluoromethyl)benzyl]({6-[3-buten-1-yl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl}methyl)carbamate [ACD/IUPAC Name]
Methyl-[3,5-bis(trifluormethyl)benzyl]({6-[3-buten-1-yl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl}methyl)carbamat [German] [ACD/IUPAC 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: 535.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.8±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 10281.49
ACD/KOC (pH 5.5): 9669.89
ACD/LogD (pH 7.4): 7.41
ACD/BCF (pH 7.4): 229981.00
ACD/KOC (pH 7.4): 216300.61
Polar Surface Area: 33 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 421.9±3.0 cm3

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