ChemSpider 2D Image | 4-{(1S)-1-Hydroxy-2-[(~2~H_3_)methylamino]ethyl}-1,2-benzenediol | C9H10D3NO3

4-{(1S)-1-Hydroxy-2-[(2H3)methylamino]ethyl}-1,2-benzenediol

  • Molecular FormulaC9H10D3NO3
  • Average mass186.223 Da
  • Monoisotopic mass186.108368 Da
  • ChemSpider ID78076115

  • 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

1,2-Benzenediol, 4-[(1S)-1-hydroxy-2-(methyl-d3-amino)ethyl]- [ACD/Index Name]
4-{(1S)-1-Hydroxy-2-[(2H3)methylamino]ethyl}-1,2-benzenediol [ACD/IUPAC Name]
4-{(1S)-1-Hydroxy-2-[(2H3)méthylamino]éthyl}-1,2-benzènediol [French] [ACD/IUPAC Name]
4-{(1S)-1-Hydroxy-2-[(2H3)methylamino]ethyl}-1,2-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 413.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 207.9±17.9 °C
Index of Refraction: 1.608
Molar Refractivity: 49.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 142.7±3.0 cm3

Click to predict properties on the Chemicalize site


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