ChemSpider 2D Image | N-[4-(Pentyloxy)benzyl]-2-(2-phenoxyethoxy)aniline | C26H31NO3

N-[4-(Pentyloxy)benzyl]-2-(2-phenoxyethoxy)aniline

  • Molecular FormulaC26H31NO3
  • Average mass405.529 Da
  • Monoisotopic mass405.230408 Da
  • ChemSpider ID21330897

More details:

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

1040687-46-4 [RN]
Benzenemethanamine, 4-(pentyloxy)-N-[2-(2-phenoxyethoxy)phenyl]- [ACD/Index Name]
N-[4-(Pentyloxy)benzyl]-2-(2-phenoxyethoxy)anilin [German] [ACD/IUPAC Name]
N-[4-(Pentyloxy)benzyl]-2-(2-phenoxyethoxy)aniline [ACD/IUPAC Name]
N-[4-(Pentyloxy)benzyl]-2-(2-phénoxyéthoxy)aniline [French] [ACD/IUPAC Name]
N-{[4-(pentyloxy)phenyl]methyl}-2-(2-phenoxyethoxy)aniline
MFCD10688130 [MDL number]
N-(4-(pentyloxy)benzyl)-2-(2-phenoxyethoxy)aniline
N-[(4-pentoxyphenyl)methyl]-2-(2-phenoxyethoxy)aniline

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

Density: 1.1±0.1 g/cm3
Boiling Point: 552.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 240.1±16.8 °C
Index of Refraction: 1.583
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 53764.18
ACD/KOC (pH 5.5): 78591.96
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 69578.63
ACD/KOC (pH 7.4): 101709.36
Polar Surface Area: 40 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 368.5±3.0 cm3

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