ChemSpider 2D Image | {4-[(2R)-2-{[(2S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}propyl]phenoxy}acetic acid | C19H22ClNO4

{4-[(2R)-2-{[(2S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}propyl]phenoxy}acetic acid

  • Molecular FormulaC19H22ClNO4
  • Average mass363.835 Da
  • Monoisotopic mass363.123749 Da
  • ChemSpider ID57642200
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

{4-[(2R)-2-{[(2S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}propyl]phenoxy}acetic acid [ACD/IUPAC Name]
{4-[(2R)-2-{[(2S)-2-(3-Chlorphenyl)-2-hydroxyethyl]amino}propyl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-[(2R)-2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]- [ACD/Index Name]
Acide {4-[(2R)-2-{[(2S)-2-(3-chlorophényl)-2-hydroxyéthyl]amino}propyl]phénoxy}acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.4±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.65
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.60
Polar Surface Area: 79 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 287.0±3.0 cm3

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