ChemSpider 2D Image | N~2~,N~2~-Dibutyl-N~4~-(3,4-diethoxyphenyl)-N~6~-[2-(4-morpholinyl)ethyl]-1,3,5-triazine-2,4,6-triamine | C27H45N7O3

N2,N2-Dibutyl-N4-(3,4-diethoxyphenyl)-N6-[2-(4-morpholinyl)ethyl]-1,3,5-triazine-2,4,6-triamine

  • Molecular FormulaC27H45N7O3
  • Average mass515.691 Da
  • Monoisotopic mass515.358398 Da
  • ChemSpider ID124624315

More details:

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

1,3,5-Triazine-2,4,6-triamine, N2,N2-dibutyl-N4-(3,4-diethoxyphenyl)-N6-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
N2,N2-Dibutyl-N4-(3,4-diethoxyphenyl)-N6-[2-(4-morpholinyl)ethyl]-1,3,5-triazin-2,4,6-triamin [German] [ACD/IUPAC Name]
N2,N2-Dibutyl-N4-(3,4-diethoxyphenyl)-N6-[2-(4-morpholinyl)ethyl]-1,3,5-triazine-2,4,6-triamine [ACD/IUPAC Name]
N2,N2-Dibutyl-N4-(3,4-diéthoxyphényl)-N6-[2-(4-morpholinyl)éthyl]-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: 658.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 352.0±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 150.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 36.29
ACD/KOC (pH 5.5): 167.84
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 963.90
ACD/KOC (pH 7.4): 4457.43
Polar Surface Area: 97 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 453.7±3.0 cm3

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