ChemSpider 2D Image | N~2~,N~2~-Diallyl-N~4~-[3-(dimethylamino)propyl]-N~6~-(4-methoxy-3-nitrophenyl)-1,3,5-triazine-2,4,6-triamine | C21H30N8O3

N2,N2-Diallyl-N4-[3-(dimethylamino)propyl]-N6-(4-methoxy-3-nitrophenyl)-1,3,5-triazine-2,4,6-triamine

  • Molecular FormulaC21H30N8O3
  • Average mass442.515 Da
  • Monoisotopic mass442.244080 Da
  • ChemSpider ID124698181

More details:

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

1,3,5-Triazine-2,4,6-triamine, N4-[3-(dimethylamino)propyl]-N6-(4-methoxy-3-nitrophenyl)-N2,N2-di-2-propen-1-yl- [ACD/Index Name]
N2,N2-Diallyl-N4-[3-(dimethylamino)propyl]-N6-(4-methoxy-3-nitrophenyl)-1,3,5-triazin-2,4,6-triamin [German] [ACD/IUPAC Name]
N2,N2-Diallyl-N4-[3-(dimethylamino)propyl]-N6-(4-methoxy-3-nitrophenyl)-1,3,5-triazine-2,4,6-triamine [ACD/IUPAC Name]
N2,N2-Diallyl-N4-[3-(diméthylamino)propyl]-N6-(4-méthoxy-3-nitrophényl)-1,3,5-triazine-2,4,6-triamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.6±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 2.52
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.17
Polar Surface Area: 124 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 357.9±3.0 cm3

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