ChemSpider 2D Image | {1-[3-(4-Bromo-3-methylphenoxy)butyl]-4-piperidinyl}(diphenyl)methanol | C29H34BrNO2

{1-[3-(4-Bromo-3-methylphenoxy)butyl]-4-piperidinyl}(diphenyl)methanol

  • Molecular FormulaC29H34BrNO2
  • Average mass508.490 Da
  • Monoisotopic mass507.177277 Da
  • ChemSpider ID34506294

More details:

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

{1-[3-(4-Brom-3-methylphenoxy)butyl]-4-piperidinyl}(diphenyl)methanol [German] [ACD/IUPAC Name]
{1-[3-(4-Bromo-3-methylphenoxy)butyl]-4-piperidinyl}(diphenyl)methanol [ACD/IUPAC Name]
{1-[3-(4-Bromo-3-méthylphénoxy)butyl]-4-pipéridinyl}(diphényl)méthanol [French] [ACD/IUPAC Name]
4-Piperidinemethanol, 1-[3-(4-bromo-3-methylphenoxy)butyl]-α,α-diphenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 625.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.2±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 138.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 61.51
ACD/KOC (pH 5.5): 90.55
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 636.73
ACD/KOC (pH 7.4): 937.39
Polar Surface Area: 33 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 409.1±3.0 cm3

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