ChemSpider 2D Image | [3-(Hydroxymethyl)-3-(2-methylbenzyl)-1-piperidinyl](2'-methyl-2-biphenylyl)methanone | C28H31NO2

[3-(Hydroxymethyl)-3-(2-methylbenzyl)-1-piperidinyl](2'-methyl-2-biphenylyl)methanone

  • Molecular FormulaC28H31NO2
  • Average mass413.551 Da
  • Monoisotopic mass413.235474 Da
  • ChemSpider ID22142943

More details:

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

[3-(Hydroxymethyl)-3-(2-methylbenzyl)-1-piperidinyl](2'-methyl-2-biphenylyl)methanon [German] [ACD/IUPAC Name]
[3-(Hydroxymethyl)-3-(2-methylbenzyl)-1-piperidinyl](2'-methyl-2-biphenylyl)methanone [ACD/IUPAC Name]
[3-(Hydroxyméthyl)-3-(2-méthylbenzyl)-1-pipéridinyl](2'-méthyl-2-biphénylyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]-1-piperidinyl](2'-methyl[1,1'-biphenyl]-2-yl)- [ACD/Index Name]
{3-(2-methylbenzyl)-1-[(2'-methyl-2-biphenylyl)carbonyl]-3-piperidinyl}methanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 597.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.3±26.8 °C
Index of Refraction: 1.600
Molar Refractivity: 125.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5087.25
ACD/KOC (pH 5.5): 15656.44
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5087.25
ACD/KOC (pH 7.4): 15656.44
Polar Surface Area: 41 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 367.7±3.0 cm3

Click to predict properties on the Chemicalize site


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