ChemSpider 2D Image | 4-[(1S,2R)-2-(Ethylamino)-1-hydroxypropyl]-1,2-benzenediol | C11H17NO3

4-[(1S,2R)-2-(Ethylamino)-1-hydroxypropyl]-1,2-benzenediol

  • Molecular FormulaC11H17NO3
  • Average mass211.258 Da
  • Monoisotopic mass211.120850 Da
  • ChemSpider ID75191870

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(1S,2R)-2-(ethylamino)-1-hydroxypropyl]- [ACD/Index Name]
4-[(1S,2R)-2-(Ethylamino)-1-hydroxypropyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(1S,2R)-2-(Éthylamino)-1-hydroxypropyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(1S,2R)-2-(Ethylamino)-1-hydroxypropyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 417.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 179.7±17.9 °C
Index of Refraction: 1.579
Molar Refractivity: 58.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -3.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 176.1±3.0 cm3

Click to predict properties on the Chemicalize site


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