ChemSpider 2D Image | 4-[2-Amino-1-(~2~H)hydroxy(~2~H_3_)ethyl]-1,2-(3-~2~H)benzene(2-~2~H)diol | C8H5D6NO3

4-[2-Amino-1-(2H)hydroxy(2H3)ethyl]-1,2-(3-2H)benzene(2-2H)diol

  • Molecular FormulaC8H5D6NO3
  • Average mass175.215 Da
  • Monoisotopic mass175.111557 Da
  • ChemSpider ID110404335

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzene-3-d-diol-d, 4-[2-amino-1-(hydroxy-d)ethyl-1,2,2-d3]- [ACD/Index Name]
4-[2-Amino-1-(2H)hydroxy(2H3)ethyl]-1,2-(3-2H)benzene(2-2H)diol [ACD/IUPAC Name]
4-[2-Amino-1-(2H)hydroxy(2H3)éthyl]-1,2-(3-2H)benzène(2-2H)diol [French] [ACD/IUPAC Name]
4-[2-Amino-1-(2H)hydroxy(2H3)ethyl]-1,2-(3-2H)benzol(2-2H)diol [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 442.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 221.5±27.3 °C
Index of Refraction: 1.659
Molar Refractivity: 44.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -4.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 76.8±3.0 dyne/cm
Molar Volume: 121.0±3.0 cm3

Click to predict properties on the Chemicalize site


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