ChemSpider 2D Image | Methyl 2-methyl-5-[(methyl{N-[2-nitro-4-(trifluoromethyl)phenyl]-beta-alanyl}amino)methyl]-3-furoate | C19H20F3N3O6

Methyl 2-methyl-5-[(methyl{N-[2-nitro-4-(trifluoromethyl)phenyl]-β-alanyl}amino)methyl]-3-furoate

  • Molecular FormulaC19H20F3N3O6
  • Average mass443.374 Da
  • Monoisotopic mass443.130432 Da
  • ChemSpider ID70214221

More details:

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

2-Méthyl-5-[(méthyl{N-[2-nitro-4-(trifluorométhyl)phényl]-β-alanyl}amino)méthyl]-3-furoate de méthyle [French] [ACD/IUPAC Name]
3-Furancarboxylic acid, 2-methyl-5-[[methyl[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-oxopropyl]amino]methyl]-, methyl ester [ACD/Index Name]
Methyl 2-methyl-5-[(methyl{N-[2-nitro-4-(trifluoromethyl)phenyl]-β-alanyl}amino)methyl]-3-furoate [ACD/IUPAC Name]
Methyl-2-methyl-5-[(methyl{N-[2-nitro-4-(trifluormethyl)phenyl]-β-alanyl}amino)methyl]-3-furoat [German] [ACD/IUPAC 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: 563.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.5±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 409.76
ACD/KOC (pH 5.5): 2580.20
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 409.76
ACD/KOC (pH 7.4): 2580.20
Polar Surface Area: 118 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 322.3±3.0 cm3

Click to predict properties on the Chemicalize site


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