ChemSpider 2D Image | (2S,3R)-4-(Dimethylamino)-3-methyl-1-phenyl-2-(~2~H_5_)phenyl-2-butanyl propionate | C22H24D5NO2

(2S,3R)-4-(Dimethylamino)-3-methyl-1-phenyl-2-(2H5)phenyl-2-butanyl propionate

  • Molecular FormulaC22H24D5NO2
  • Average mass344.502 Da
  • Monoisotopic mass344.251221 Da
  • ChemSpider ID49073348

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3R)-4-(Dimethylamino)-3-methyl-1-phenyl-2-(2H5)phenyl-2-butanyl propionate [ACD/IUPAC Name]
(2S,3R)-4-(Dimethylamino)-3-methyl-1-phenyl-2-(2H5)phenyl-2-butanylpropionat [German] [ACD/IUPAC Name]
Benzeneethanol, α-[(1R)-2-(dimethylamino)-1-methylethyl]-α-(phenyl-d5)-, propanoate (ester), (αS)- [ACD/Index Name]
Propionate de (2S,3R)-4-(diméthylamino)-3-méthyl-1-phényl-2-(2H5)phényl-2-butanyle [French] [ACD/IUPAC Name]
136765-49-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 444.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 130.6±19.6 °C
Index of Refraction: 1.539
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 10.44
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 48.09
ACD/KOC (pH 7.4): 173.57
Polar Surface Area: 30 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 327.0±3.0 cm3

Click to predict properties on the Chemicalize site


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