ChemSpider 2D Image | 4-{(1S,2R)-1-Hydroxy-2-[(~2~H_3_)methylamino]propyl}phenol | C10H12D3NO2

4-{(1S,2R)-1-Hydroxy-2-[(2H3)methylamino]propyl}phenol

  • Molecular FormulaC10H12D3NO2
  • Average mass184.250 Da
  • Monoisotopic mass184.129105 Da
  • ChemSpider ID58784132

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

4-{(1S,2R)-1-Hydroxy-2-[(2H3)methylamino]propyl}phenol [German] [ACD/IUPAC Name]
4-{(1S,2R)-1-Hydroxy-2-[(2H3)methylamino]propyl}phenol [ACD/IUPAC Name]
4-{(1S,2R)-1-Hydroxy-2-[(2H3)méthylamino]propyl}phénol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-hydroxy-α-[(1R)-1-(methyl-d3-amino)ethyl]-, (αS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 343.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 149.9±14.3 °C
Index of Refraction: 1.559
Molar Refractivity: 52.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -2.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 52 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 161.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement