ChemSpider 2D Image | 3-(Heptyloxy)-N-[2-(2-phenoxyethoxy)benzyl]aniline | C28H35NO3

3-(Heptyloxy)-N-[2-(2-phenoxyethoxy)benzyl]aniline

  • Molecular FormulaC28H35NO3
  • Average mass433.582 Da
  • Monoisotopic mass433.261688 Da
  • ChemSpider ID21331005

More details:

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

1040680-33-8 [RN]
3-(Heptyloxy)-N-[2-(2-phenoxyethoxy)benzyl]anilin [German] [ACD/IUPAC Name]
3-(Heptyloxy)-N-[2-(2-phenoxyethoxy)benzyl]aniline [ACD/IUPAC Name]
3-(Heptyloxy)-N-[2-(2-phénoxyéthoxy)benzyl]aniline [French] [ACD/IUPAC Name]
3-(heptyloxy)-N-{[2-(2-phenoxyethoxy)phenyl]methyl}aniline
Benzenemethanamine, N-[3-(heptyloxy)phenyl]-2-(2-phenoxyethoxy)- [ACD/Index Name]
3-(heptyloxy)-N-(2-(2-phenoxyethoxy)benzyl)aniline
3-heptoxy-N-[[2-(2-phenoxyethoxy)phenyl]methyl]aniline
MFCD10688238 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 582.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 255.0±18.2 °C
Index of Refraction: 1.573
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 7.78
ACD/BCF (pH 5.5): 482801.13
ACD/KOC (pH 5.5): 406714.50
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 485602.28
ACD/KOC (pH 7.4): 409074.22
Polar Surface Area: 40 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 401.5±3.0 cm3

Click to predict properties on the Chemicalize site


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