ChemSpider 2D Image | N-{[2-(Dimethylamino)-6-methyl-4-pyrimidinyl]methyl}-4-methyl-3,5-dinitrobenzenesulfonamide | C15H18N6O6S

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

  • Molecular FormulaC15H18N6O6S
  • Average mass410.405 Da
  • Monoisotopic mass410.100861 Da
  • ChemSpider ID58420660

More details:

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

Benzenesulfonamide, N-[[2-(dimethylamino)-6-methyl-4-pyrimidinyl]methyl]-4-methyl-3,5-dinitro- [ACD/Index Name]
N-{[2-(Dimethylamino)-6-methyl-4-pyrimidinyl]methyl}-4-methyl-3,5-dinitrobenzenesulfonamide [ACD/IUPAC Name]
N-{[2-(Diméthylamino)-6-méthyl-4-pyrimidinyl]méthyl}-4-méthyl-3,5-dinitrobenzènesulfonamide [French] [ACD/IUPAC Name]
N-{[2-(Dimethylamino)-6-methyl-4-pyrimidinyl]methyl}-4-methyl-3,5-dinitrobenzolsulfonamid [German] [ACD/IUPAC Name]
N-((2-(dimethylamino)-6-methylpyrimidin-4-yl)methyl)-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: 601.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.4±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 98.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 39.01
ACD/KOC (pH 5.5): 448.48
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 12.16
ACD/KOC (pH 7.4): 139.82
Polar Surface Area: 175 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 281.4±3.0 cm3

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