ChemSpider 2D Image | (1E,3S)-5-Phenyl-1-(phenylsulfonyl)-1-penten-3-amine | C17H19NO2S

(1E,3S)-5-Phenyl-1-(phenylsulfonyl)-1-penten-3-amine

  • Molecular FormulaC17H19NO2S
  • Average mass301.403 Da
  • Monoisotopic mass301.113647 Da
  • ChemSpider ID64873360

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1E,3S)-5-Phenyl-1-(phenylsulfonyl)-1-penten-3-amin [German] [ACD/IUPAC Name]
(1E,3S)-5-Phenyl-1-(phenylsulfonyl)-1-penten-3-amine [ACD/IUPAC Name]
(1E,3S)-5-Phényl-1-(phénylsulfonyl)-1-pentén-3-amine [French] [ACD/IUPAC Name]
(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
Benzenepropanamine, α-[(E)-2-(phenylsulfonyl)ethenyl]-, (αS)- [ACD/Index Name]
3-AMINO-5-PHENYLPENTANE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 515.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.4±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 8.98
ACD/KOC (pH 7.4): 113.19
Polar Surface Area: 69 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 255.6±3.0 cm3

Click to predict properties on the Chemicalize site


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