ChemSpider 2D Image | N-(2-{[6-(Ethylamino)-2-methyl-4-pyrimidinyl]amino}ethyl)-4-methyl-3,5-dinitrobenzenesulfonamide | C16H21N7O6S

N-(2-{[6-(Ethylamino)-2-methyl-4-pyrimidinyl]amino}ethyl)-4-methyl-3,5-dinitrobenzenesulfonamide

  • Molecular FormulaC16H21N7O6S
  • Average mass439.446 Da
  • Monoisotopic mass439.127411 Da
  • ChemSpider ID58447559

More details:

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

Benzenesulfonamide, N-[2-[[6-(ethylamino)-2-methyl-4-pyrimidinyl]amino]ethyl]-4-methyl-3,5-dinitro- [ACD/Index Name]
N-(2-{[6-(Ethylamino)-2-methyl-4-pyrimidinyl]amino}ethyl)-4-methyl-3,5-dinitrobenzenesulfonamide [ACD/IUPAC Name]
N-(2-{[6-(Éthylamino)-2-méthyl-4-pyrimidinyl]amino}éthyl)-4-méthyl-3,5-dinitrobenzènesulfonamide [French] [ACD/IUPAC Name]
N-(2-{[6-(Ethylamino)-2-methyl-4-pyrimidinyl]amino}ethyl)-4-methyl-3,5-dinitrobenzolsulfonamid [German] [ACD/IUPAC Name]
N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)-4-methyl-3,5-dinitrobenzenesulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 665.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.3±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 28.86
ACD/KOC (pH 5.5): 228.06
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 166.64
ACD/KOC (pH 7.4): 1316.99
Polar Surface Area: 196 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 75.7±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

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