ChemSpider 2D Image | N-[4-(Hexyloxy)benzyl]-2-(2-phenoxyethoxy)aniline | C27H33NO3

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

  • Molecular FormulaC27H33NO3
  • Average mass419.556 Da
  • Monoisotopic mass419.246033 Da
  • ChemSpider ID21330896

More details:

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

1040687-42-0 [RN]
Benzenemethanamine, 4-(hexyloxy)-N-[2-(2-phenoxyethoxy)phenyl]- [ACD/Index Name]
N-[4-(Hexyloxy)benzyl]-2-(2-phenoxyethoxy)anilin [German] [ACD/IUPAC Name]
N-[4-(Hexyloxy)benzyl]-2-(2-phenoxyethoxy)aniline [ACD/IUPAC Name]
N-[4-(Hexyloxy)benzyl]-2-(2-phénoxyéthoxy)aniline [French] [ACD/IUPAC Name]
N-{[4-(hexyloxy)phenyl]methyl}-2-(2-phenoxyethoxy)aniline
MFCD10688129 [MDL number]
N-(4-(hexyloxy)benzyl)-2-(2-phenoxyethoxy)aniline
N-[(4-hexoxyphenyl)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: 563.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 246.2±16.8 °C
Index of Refraction: 1.578
Molar Refractivity: 127.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 158078.41
ACD/KOC (pH 5.5): 169699.13
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 206146.11
ACD/KOC (pH 7.4): 221300.38
Polar Surface Area: 40 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 385.0±3.0 cm3

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