ChemSpider 2D Image | Methyl 2-({2-[(dimethylcarbamoyl)amino]ethyl}amino)-6-methyl-3-nitroisonicotinate | C13H19N5O5

Methyl 2-({2-[(dimethylcarbamoyl)amino]ethyl}amino)-6-methyl-3-nitroisonicotinate

  • Molecular FormulaC13H19N5O5
  • Average mass325.320 Da
  • Monoisotopic mass325.138611 Da
  • ChemSpider ID35206692

More details:

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

2-({2-[(Diméthylcarbamoyl)amino]éthyl}amino)-6-méthyl-3-nitroisonicotinate de méthyle [French] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 2-[[2-[[(dimethylamino)carbonyl]amino]ethyl]amino]-6-methyl-3-nitro-, methyl ester [ACD/Index Name]
Methyl 2-({2-[(dimethylcarbamoyl)amino]ethyl}amino)-6-methyl-3-nitroisonicotinate [ACD/IUPAC Name]
Methyl-2-({2-[(dimethylcarbamoyl)amino]ethyl}amino)-6-methyl-3-nitroisonicotinat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.50
ACD/KOC (pH 5.5): 258.86
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.50
ACD/KOC (pH 7.4): 258.90
Polar Surface Area: 129 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 247.3±3.0 cm3

Click to predict properties on the Chemicalize site


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