ChemSpider 2D Image | 1-(Isopropylamino)-3-(4-{2-[(~2~H_3_)methyloxy](1,2,2-~2~H_3_)ethyl}phenoxy)-2-propanol | C15H19D6NO3

1-(Isopropylamino)-3-(4-{2-[(2H3)methyloxy](1,2,2-2H3)ethyl}phenoxy)-2-propanol

  • Molecular FormulaC15H19D6NO3
  • Average mass273.401 Da
  • Monoisotopic mass273.221100 Da
  • ChemSpider ID110404327

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(Isopropylamino)-3-(4-{2-[(2H3)methyloxy](1,2,2-2H3)ethyl}phenoxy)-2-propanol [German] [ACD/IUPAC Name]
1-(Isopropylamino)-3-(4-{2-[(2H3)methyloxy](1,2,2-2H3)ethyl}phenoxy)-2-propanol [ACD/IUPAC Name]
1-(Isopropylamino)-3-(4-{2-[(2H3)méthyloxy](1,2,2-2H3)éthyl}phénoxy)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[(1-methylethyl)amino]-3-[4-[2-(methyl-d3-oxy)ethyl-1,2,2-d3]phenoxy]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 398.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 194.9±26.5 °C
Index of Refraction: 1.508
Molar Refractivity: 77.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.92
Polar Surface Area: 51 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 258.7±3.0 cm3

Click to predict properties on the Chemicalize site


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