ChemSpider 2D Image | Methyl 4-{[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}-3-nitrobenzoate | C15H21N3O6

Methyl 4-{[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}-3-nitrobenzoate

  • Molecular FormulaC15H21N3O6
  • Average mass339.344 Da
  • Monoisotopic mass339.143036 Da
  • ChemSpider ID29304587

More details:

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

4-{[2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]amino}-3-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]-3-nitro-, methyl ester [ACD/Index Name]
Methyl 4-{[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}-3-nitrobenzoate [ACD/IUPAC Name]
Methyl-4-{[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}-3-nitrobenzoat [German] [ACD/IUPAC Name]
1198093-70-7 [RN]
methyl 4-((2-((tert-butoxycarbonyl)amino)ethyl)amino)-3-nitrobenzoate
Methyl 4-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)-3-nitrobenzoate
Methyl 4-({2-[(tert-butoxycarbonyl)-amino]ethyl}amino)-3-nitrobenzoate
methyl 4-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]-3-nitrobenzoate
methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-nitrobenzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 521.9±50.0 °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: 269.5±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 87.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 132.85
ACD/KOC (pH 5.5): 1152.17
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 132.85
ACD/KOC (pH 7.4): 1152.16
Polar Surface Area: 122 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 270.0±3.0 cm3

Click to predict properties on the Chemicalize site


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