ChemSpider 2D Image | N,N'-Bis[4-(hexyloxy)phenyl]-2,5-pyridinedicarboxamide | C31H39N3O4

N,N'-Bis[4-(hexyloxy)phenyl]-2,5-pyridinedicarboxamide

  • Molecular FormulaC31H39N3O4
  • Average mass517.659 Da
  • Monoisotopic mass517.294067 Da
  • ChemSpider ID2534333

More details:

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

2,5-Pyridinedicarboxamide, N2,N5-bis[4-(hexyloxy)phenyl]- [ACD/Index Name]
N,N'-Bis[4-(hexyloxy)phenyl]-2,5-pyridindicarboxamid [German] [ACD/IUPAC Name]
N,N'-Bis[4-(hexyloxy)phenyl]-2,5-pyridinedicarboxamide [ACD/IUPAC Name]
N,N'-Bis[4-(hexyloxy)phényl]-2,5-pyridinedicarboxamide [French] [ACD/IUPAC Name]

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

ZINC04256165 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 579.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.4±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 153.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.44
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 220926.02
ACD/KOC (pH 5.5): 232794.61
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 220808.41
ACD/KOC (pH 7.4): 232670.67
Polar Surface Area: 90 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 453.5±3.0 cm3

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