ChemSpider 2D Image | 3-(2-Aminoethyl)-1,2,4,5-benzenetetrol | C8H11NO4

3-(2-Aminoethyl)-1,2,4,5-benzenetetrol

  • Molecular FormulaC8H11NO4
  • Average mass185.177 Da
  • Monoisotopic mass185.068802 Da
  • ChemSpider ID61201453

More details:






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

1,2,4,5-Benzenetetrol, 3-(2-aminoethyl)- [ACD/Index Name]
3-(2-Aminoethyl)-1,2,4,5-benzenetetrol [ACD/IUPAC Name]
3-(2-Aminoéthyl)-1,2,4,5-benzènetétrol [French] [ACD/IUPAC Name]
3-(2-Aminoethyl)-1,2,4,5-benzoltetrol [German] [ACD/IUPAC Name]
54942-61-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 509.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 262.2±28.7 °C
Index of Refraction: 1.712
Molar Refractivity: 46.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -4.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 94.4±3.0 dyne/cm
Molar Volume: 119.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement