ChemSpider 2D Image | njaoamine F | C43H56N4O

njaoamine F

  • Molecular FormulaC43H56N4O
  • Average mass644.931 Da
  • Monoisotopic mass644.445435 Da
  • ChemSpider ID27023053

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

njaoamine F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 819.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 449.1±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 201.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 9.79
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 7.73
ACD/KOC (pH 5.5): 5.20
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 130.73
ACD/KOC (pH 7.4): 87.97
Polar Surface Area: 66 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 547.1±5.0 cm3

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