ChemSpider 2D Image | MFCD28137793 | C25H8D36N4O2

MFCD28137793

  • Molecular FormulaC25H8D36N4O2
  • Average mass468.864 Da
  • Monoisotopic mass468.572388 Da
  • ChemSpider ID45848884
  • Non-standard isotope - Non-standard isotope


More details:






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

3,3'-(2-Methyl-1,3-phenylen)bis{1,1-bis[(2H9)butyl]harnstoff} [German] [ACD/IUPAC Name]
3,3'-(2-Methyl-1,3-phenylene)bis{1,1-bis[(2H9)butyl]urea} [ACD/IUPAC Name]
3,3'-(2-Méthyl-1,3-phénylène)bis{1,1-bis[(2H9)butyl]urée} [French] [ACD/IUPAC Name]
MFCD28137793
Urea, N',N'''-(2-methyl-1,3-phenylene)bis[N,N-dibutyl-d9- [ACD/Index Name]
3,3'-(2-Methyl-1,3-phenylene)bis(1,1-dibutylurea)-(tetrabutyl-d36)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 607.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.1±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22845.39
ACD/KOC (pH 5.5): 45878.04
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22846.94
ACD/KOC (pH 7.4): 45881.16
Polar Surface Area: 65 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 417.5±3.0 cm3

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