ChemSpider 2D Image | 5-{1-Hydroxy-2-[(~2~H_7_)-2-propanylamino]ethyl}-1,3-benzenediol | C11H10D7NO3

5-{1-Hydroxy-2-[(2H7)-2-propanylamino]ethyl}-1,3-benzenediol

  • Molecular FormulaC11H10D7NO3
  • Average mass218.301 Da
  • Monoisotopic mass218.164780 Da
  • ChemSpider ID48062475
  • Non-standard isotope - Non-standard isotope


More details:






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

1,3-Benzenediol, 5-[1-hydroxy-2-[[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]ethyl]- [ACD/Index Name]
5-{1-Hydroxy-2-[(2H7)-2-propanylamino]ethyl}-1,3-benzenediol [ACD/IUPAC Name]
5-{1-Hydroxy-2-[(2H7)-2-propanylamino]éthyl}-1,3-benzènediol [French] [ACD/IUPAC Name]
5-{1-Hydroxy-2-[(2H7)-2-propanylamino]ethyl}-1,3-benzoldiol [German] [ACD/IUPAC Name]
1346601-49-7 [RN]
5-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-1-hydroxyethyl]benzene-1,3-diol

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

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: 0.13
ACD/LogD (pH 5.5): -2.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.78
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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