ChemSpider 2D Image | N-{[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]methyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide | C16H22N6O4S

N-{[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]methyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

  • Molecular FormulaC16H22N6O4S
  • Average mass394.449 Da
  • Monoisotopic mass394.142334 Da
  • ChemSpider ID57829131

More details:

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

1,4-Benzodioxin-6-sulfonamide, N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,3-dihydro- [ACD/Index Name]
N-{[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]methyl}-2,3-dihydro-1,4-benzodioxin-6-sulfonamid [German] [ACD/IUPAC Name]
N-{[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]methyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide [ACD/IUPAC Name]
N-{[4,6-Bis(diméthylamino)-1,3,5-triazin-2-yl]méthyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide [French] [ACD/IUPAC Name]
2034413-39-1 [RN]
N-((4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)methyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 602.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.4±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 98.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.30
ACD/KOC (pH 5.5): 124.00
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 5.61
ACD/KOC (pH 7.4): 110.46
Polar Surface Area: 118 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 285.3±3.0 cm3

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