ChemSpider 2D Image | 2-[(3,5-Dimethoxyphenyl)amino]-2-oxoethyl 2-[(2-hydroxyethyl)amino]-5-nitrobenzoate | C19H21N3O8

2-[(3,5-Dimethoxyphenyl)amino]-2-oxoethyl 2-[(2-hydroxyethyl)amino]-5-nitrobenzoate

  • Molecular FormulaC19H21N3O8
  • Average mass419.385 Da
  • Monoisotopic mass419.132874 Da
  • ChemSpider ID22256912

More details:

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

2-[(2-Hydroxyéthyl)amino]-5-nitrobenzoate de 2-[(3,5-diméthoxyphényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(3,5-Dimethoxyphenyl)amino]-2-oxoethyl 2-[(2-hydroxyethyl)amino]-5-nitrobenzoate [ACD/IUPAC Name]
2-[(3,5-Dimethoxyphenyl)amino]-2-oxoethyl-2-[(2-hydroxyethyl)amino]-5-nitrobenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-[(2-hydroxyethyl)amino]-5-nitro-, 2-[(3,5-dimethoxyphenyl)amino]-2-oxoethyl ester [ACD/Index 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: 718.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.5±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.01
ACD/KOC (pH 5.5): 683.14
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.00
ACD/KOC (pH 7.4): 683.09
Polar Surface Area: 152 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 298.1±3.0 cm3

Click to predict properties on the Chemicalize site


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