ChemSpider 2D Image | N~2~-Butyl-N~4~-(4-ethyl-3-nitrophenyl)-N~2~-hexyl-N~6~-(3-isopropoxypropyl)-1,3,5-triazine-2,4,6-triamine | C27H45N7O3

N2-Butyl-N4-(4-ethyl-3-nitrophenyl)-N2-hexyl-N6-(3-isopropoxypropyl)-1,3,5-triazine-2,4,6-triamine

  • Molecular FormulaC27H45N7O3
  • Average mass515.691 Da
  • Monoisotopic mass515.358398 Da
  • ChemSpider ID124630217

More details:

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

1,3,5-Triazine-2,4,6-triamine, N2-butyl-N4-(4-ethyl-3-nitrophenyl)-N2-hexyl-N6-[3-(1-methylethoxy)propyl]- [ACD/Index Name]
N2-Butyl-N4-(4-ethyl-3-nitrophenyl)-N2-hexyl-N6-(3-isopropoxypropyl)-1,3,5-triazin-2,4,6-triamin [German] [ACD/IUPAC Name]
N2-Butyl-N4-(4-ethyl-3-nitrophenyl)-N2-hexyl-N6-(3-isopropoxypropyl)-1,3,5-triazine-2,4,6-triamine [ACD/IUPAC Name]
N2-Butyl-N4-(4-éthyl-3-nitrophényl)-N2-hexyl-N6-(3-isopropoxypropyl)-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: 1.1±0.1 g/cm3
Boiling Point: 636.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.6±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 151.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 77908.93
ACD/KOC (pH 5.5): 94246.47
ACD/LogD (pH 7.4): 7.05
ACD/BCF (pH 7.4): 134677.00
ACD/KOC (pH 7.4): 162918.83
Polar Surface Area: 121 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 458.6±3.0 cm3

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