ChemSpider 2D Image | 4-{(2S)-2-Hydroxy-3-[(~2~H_7_)-2-propanylamino]propoxy}phenol | C12H12D7NO3

4-{(2S)-2-Hydroxy-3-[(2H7)-2-propanylamino]propoxy}phenol

  • Molecular FormulaC12H12D7NO3
  • Average mass232.327 Da
  • Monoisotopic mass232.180435 Da
  • ChemSpider ID107442385

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

4-{(2S)-2-Hydroxy-3-[(2H7)-2-propanylamino]propoxy}phenol [German] [ACD/IUPAC Name]
4-{(2S)-2-Hydroxy-3-[(2H7)-2-propanylamino]propoxy}phenol [ACD/IUPAC Name]
4-{(2S)-2-Hydroxy-3-[(2H7)-2-propanylamino]propoxy}phénol [French] [ACD/IUPAC Name]
Phenol, 4-[(2S)-2-hydroxy-3-[[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]propoxy]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 397.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 194.3±25.1 °C
Index of Refraction: 1.538
Molar Refractivity: 63.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 201.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement