ChemSpider 2D Image | N-[3-(3-Methylbutoxy)benzyl]-3-(3-phenylpropoxy)aniline | C27H33NO2

N-[3-(3-Methylbutoxy)benzyl]-3-(3-phenylpropoxy)aniline

  • Molecular FormulaC27H33NO2
  • Average mass403.556 Da
  • Monoisotopic mass403.251129 Da
  • ChemSpider ID21330954

More details:

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

1040690-93-4 [RN]
3-(3-Methylbutoxy)-N-[3-(3-phenylpropoxy)phenyl]benzenemethanamine
Benzenemethanamine, 3-(3-methylbutoxy)-N-[3-(3-phenylpropoxy)phenyl]- [ACD/Index Name]
N-[3-(3-Methylbutoxy)benzyl]-3-(3-phenylpropoxy)anilin [German] [ACD/IUPAC Name]
N-[3-(3-Methylbutoxy)benzyl]-3-(3-phenylpropoxy)aniline [ACD/IUPAC Name]
N-[3-(3-Méthylbutoxy)benzyl]-3-(3-phénylpropoxy)aniline [French] [ACD/IUPAC Name]
N-{[3-(3-methylbutoxy)phenyl]methyl}-3-(3-phenylpropoxy)aniline
MFCD10688188 [MDL number]
N-[[3-(3-methylbutoxy)phenyl]methyl]-3-(3-phenylpropoxy)aniline
N-[3-(Isopentyloxy)benzyl]-3-(3-phenylpropoxy)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: 562.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 244.6±18.2 °C
Index of Refraction: 1.581
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 7.00
ACD/BCF (pH 5.5): 122396.24
ACD/KOC (pH 5.5): 152239.91
ACD/LogD (pH 7.4): 7.00
ACD/BCF (pH 7.4): 123255.28
ACD/KOC (pH 7.4): 153308.41
Polar Surface Area: 30 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 377.7±3.0 cm3

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