ChemSpider 2D Image | Ethyl 4-[(2-methyl-2-propanyl)amino]-3-nitrobenzoate | C13H18N2O4

Ethyl 4-[(2-methyl-2-propanyl)amino]-3-nitrobenzoate

  • Molecular FormulaC13H18N2O4
  • Average mass266.293 Da
  • Monoisotopic mass266.126648 Da
  • ChemSpider ID24740436

More details:

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

4-[(2-Méthyl-2-propanyl)amino]-3-nitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(1,1-dimethylethyl)amino]-3-nitro-, ethyl ester [ACD/Index Name]
Ethyl 4-[(2-methyl-2-propanyl)amino]-3-nitrobenzoate [ACD/IUPAC Name]
Ethyl-4-[(2-methyl-2-propanyl)amino]-3-nitrobenzoat [German] [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: 395.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 193.1±25.1 °C
Index of Refraction: 1.560
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 717.70
ACD/KOC (pH 5.5): 3853.76
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 717.70
ACD/KOC (pH 7.4): 3853.76
Polar Surface Area: 84 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 224.7±3.0 cm3

Click to predict properties on the Chemicalize site


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