ChemSpider 2D Image | 4-[(1S,2S)-1-Hydroxy-2-{[(2S)-1-phenoxy-2-propanyl]amino}propyl]phenol | C18H23NO3

4-[(1S,2S)-1-Hydroxy-2-{[(2S)-1-phenoxy-2-propanyl]amino}propyl]phenol

  • Molecular FormulaC18H23NO3
  • Average mass301.380 Da
  • Monoisotopic mass301.167786 Da
  • ChemSpider ID26352144

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-[(1S,2S)-1-Hydroxy-2-{[(2S)-1-phenoxy-2-propanyl]amino}propyl]phenol [German] [ACD/IUPAC Name]
4-[(1S,2S)-1-Hydroxy-2-{[(2S)-1-phenoxy-2-propanyl]amino}propyl]phenol [ACD/IUPAC Name]
4-[(1S,2S)-1-Hydroxy-2-{[(2S)-1-phénoxy-2-propanyl]amino}propyl]phénol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-hydroxy-α-[(1S)-1-[[(1S)-1-methyl-2-phenoxyethyl]amino]ethyl]-, (αS)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1243039/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 484.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 246.6±27.3 °C
Index of Refraction: 1.580
Molar Refractivity: 87.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 4.03
ACD/KOC (pH 7.4): 47.65
Polar Surface Area: 62 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 262.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement