ChemSpider 2D Image | 5-[2-Amino(~2~H_4_)ethyl]-1,2,4-benzenetriol | C8H7D4NO3

5-[2-Amino(2H4)ethyl]-1,2,4-benzenetriol

  • Molecular FormulaC8H7D4NO3
  • Average mass173.202 Da
  • Monoisotopic mass173.098999 Da
  • ChemSpider ID107439152

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2,4-Benzenetriol, 5-(2-aminoethyl-1,1,2,2-d4)- [ACD/Index Name]
5-[2-Amino(2H4)ethyl]-1,2,4-benzenetriol [ACD/IUPAC Name]
5-[2-Amino(2H4)éthyl]-1,2,4-benzènetriol [French] [ACD/IUPAC Name]
5-[2-Amino(2H4)ethyl]-1,2,4-benzoltriol [German] [ACD/IUPAC Name]
1795121-94-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 406.0±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 199.3±20.1 °C
Index of Refraction: 1.664
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -3.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 121.2±3.0 cm3

Click to predict properties on the Chemicalize site


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