ChemSpider 2D Image | (2R)-3-[(Dimethylamino)methyl]-1,2-diphenyl-3-buten-2-yl propionate | C22H27NO2

(2R)-3-[(Dimethylamino)methyl]-1,2-diphenyl-3-buten-2-yl propionate

  • Molecular FormulaC22H27NO2
  • Average mass337.455 Da
  • Monoisotopic mass337.204193 Da
  • ChemSpider ID28529602

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-[(Dimethylamino)methyl]-1,2-diphenyl-3-buten-2-yl propionate [ACD/IUPAC Name]
(2R)-3-[(Dimethylamino)methyl]-1,2-diphenyl-3-buten-2-ylpropionat [German] [ACD/IUPAC Name]
Benzeneethanol, α-[1-[(dimethylamino)methyl]ethenyl]-α-phenyl-, propanoate (ester), (αR)- [ACD/Index Name]
Propionate de (2R)-3-[(diméthylamino)méthyl]-1,2-diphényl-3-butén-2-yle [French] [ACD/IUPAC Name]
14089-84-0 [RN]
Proxibutene [INN]
UNII-7F228A0THI

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

Density: 1.0±0.1 g/cm3
Boiling Point: 445.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 133.3±19.6 °C
Index of Refraction: 1.547
Molar Refractivity: 102.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 7.66
ACD/KOC (pH 5.5): 22.85
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 244.48
ACD/KOC (pH 7.4): 729.52
Polar Surface Area: 30 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 321.5±3.0 cm3

Click to predict properties on the Chemicalize site


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