ChemSpider 2D Image | (S)-Fenalcomine | C20H27NO2

(S)-Fenalcomine

  • Molecular FormulaC20H27NO2
  • Average mass313.434 Da
  • Monoisotopic mass313.204193 Da
  • ChemSpider ID34993318

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(S)-Fenalcomine
(1S)-1-[4-(2-{[(2R)-1-Phenyl-2-propanyl]amino}ethoxy)phenyl]-1-propanol [German] [ACD/IUPAC Name]
(1S)-1-[4-(2-{[(2R)-1-Phenyl-2-propanyl]amino}ethoxy)phenyl]-1-propanol [ACD/IUPAC Name]
(1S)-1-[4-(2-{[(2R)-1-Phényl-2-propanyl]amino}éthoxy)phényl]-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-ethyl-4-[2-[[(1R)-1-methyl-2-phenylethyl]amino]ethoxy]-, (αS)- [ACD/Index Name]
Fenalcomine [INN]
34616-39-2 [RN]
UNII-1TBQ3A47P8

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

Density: 1.1±0.1 g/cm3
Boiling Point: 465.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 235.6±27.3 °C
Index of Refraction: 1.554
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.40
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 9.83
ACD/KOC (pH 7.4): 69.92
Polar Surface Area: 41 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 296.9±3.0 cm3

Click to predict properties on the Chemicalize site


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