ChemSpider 2D Image | (2S)-1-(2-Iodophenoxy)-3-(isopropylamino)-2-propanol | C12H18INO2

(2S)-1-(2-Iodophenoxy)-3-(isopropylamino)-2-propanol

  • Molecular FormulaC12H18INO2
  • Average mass335.181 Da
  • Monoisotopic mass335.038208 Da
  • ChemSpider ID25036283

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(2-Iodophenoxy)-3-(isopropylamino)-2-propanol [ACD/IUPAC Name]
(2S)-1-(2-Iodophénoxy)-3-(isopropylamino)-2-propanol [French] [ACD/IUPAC Name]
(2S)-1-(2-Iodphenoxy)-3-(isopropylamino)-2-propanol [German] [ACD/IUPAC Name]
2-Propanol, 1-(2-iodophenoxy)-3-[(1-methylethyl)amino]-, (2S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 410.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 201.9±27.3 °C
Index of Refraction: 1.572
Molar Refractivity: 74.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.54
Polar Surface Area: 41 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 225.1±3.0 cm3

Click to predict properties on the Chemicalize site


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