ChemSpider 2D Image | 4-(Hexyloxy)-N-(3-isopropoxybenzyl)aniline | C22H31NO2

4-(Hexyloxy)-N-(3-isopropoxybenzyl)aniline

  • Molecular FormulaC22H31NO2
  • Average mass341.487 Da
  • Monoisotopic mass341.235474 Da
  • ChemSpider ID21330648

More details:

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

1040687-36-2 [RN]
4-(Hexyloxy)-N-(3-isopropoxybenzyl)anilin [German] [ACD/IUPAC Name]
4-(Hexyloxy)-N-(3-isopropoxybenzyl)aniline [ACD/IUPAC Name]
4-(Hexyloxy)-N-(3-isopropoxybenzyl)aniline [French] [ACD/IUPAC Name]
4-(hexyloxy)-N-[(3-isopropoxyphenyl)methyl]aniline
4-(hexyloxy)-N-{[3-(propan-2-yloxy)phenyl]methyl}aniline
Benzenemethanamine, N-[4-(hexyloxy)phenyl]-3-(1-methylethoxy)- [ACD/Index Name]
4-hexoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
MFCD10687887 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 470.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 206.7±14.0 °C
Index of Refraction: 1.549
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19284.62
ACD/KOC (pH 5.5): 39254.35
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21750.35
ACD/KOC (pH 7.4): 44273.41
Polar Surface Area: 30 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 333.5±3.0 cm3

Click to predict properties on the Chemicalize site


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