ChemSpider 2D Image | Methyl 4-(N,N,N'-tris{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzoate | C24H34N2O8

Methyl 4-(N,N,N'-tris{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzoate

  • Molecular FormulaC24H34N2O8
  • Average mass478.535 Da
  • Monoisotopic mass478.231506 Da
  • ChemSpider ID62788590

More details:

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

135321-85-6 [RN]
4-(N,N,N'-Tris{[(2-méthyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(E)-[bis[(1,1-dimethylethoxy)carbonyl]amino][[(1,1-dimethylethoxy)carbonyl]imino]methyl]-, methyl ester [ACD/Index Name]
Benzoic acid, 4-[[bis[(1,1-dimethylethoxy)carbonyl]amino][[(1,1-dimethylethoxy)carbonyl]imino]methyl]-, methyl ester
Methyl 4-(N,N,N'-tris{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzoate [ACD/IUPAC Name]
Methyl-4-(N,N,N'-tris{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-[[bis[(1,1-dimethylethoxy)carbonyl]amino][[(1,1- dimethylethoxy)carbonyl]imino]methyl]-, methyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 521.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.3±30.7 °C
Index of Refraction: 1.502
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6880.97
ACD/KOC (pH 5.5): 19434.84
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6880.97
ACD/KOC (pH 7.4): 19434.84
Polar Surface Area: 121 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 36.1±7.0 dyne/cm
Molar Volume: 428.0±7.0 cm3

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