ChemSpider 2D Image | 2-{[4-(Diethylamino)-1-piperidinyl]methyl}-4-(3-hydroxy-1-propyn-1-yl)-6-iodophenol | C19H27IN2O2

2-{[4-(Diethylamino)-1-piperidinyl]methyl}-4-(3-hydroxy-1-propyn-1-yl)-6-iodophenol

  • Molecular FormulaC19H27IN2O2
  • Average mass442.334 Da
  • Monoisotopic mass442.111725 Da
  • ChemSpider ID35034146

More details:






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

2-{[4-(Diethylamino)-1-piperidinyl]methyl}-4-(3-hydroxy-1-propin-1-yl)-6-iodphenol [German] [ACD/IUPAC Name]
2-{[4-(Diethylamino)-1-piperidinyl]methyl}-4-(3-hydroxy-1-propyn-1-yl)-6-iodophenol [ACD/IUPAC Name]
2-{[4-(Diéthylamino)-1-pipéridinyl]méthyl}-4-(3-hydroxy-1-propyn-1-yl)-6-iodophénol [French] [ACD/IUPAC Name]
2-{[4-(Diethylamino)piperidin-1-Yl]methyl}-4-(3-Hydroxyprop-1-Yn-1-Yl)-6-Iodophenol
Phenol, 2-[[4-(diethylamino)-1-piperidinyl]methyl]-4-(3-hydroxy-1-propyn-1-yl)-6-iodo- [ACD/Index Name]
NXG

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 489.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 249.6±28.7 °C
Index of Refraction: 1.645
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 9.02
Polar Surface Area: 47 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 294.3±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement