ChemSpider 2D Image | 4-[2-Amino(~2~H_4_)ethyl]-1,2-benzenediol | C8H7D4NO2

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

  • Molecular FormulaC8H7D4NO2
  • Average mass157.203 Da
  • Monoisotopic mass157.104080 Da
  • ChemSpider ID62940637

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzenediol, 4-(2-aminoethyl-1,1,2,2-d4)- [ACD/Index Name]
4-[2-Amino(2H4)ethyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[2-Amino(2H4)éthyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[2-Amino(2H4)ethyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
115797-26-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 337.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 158.0±23.7 °C
Index of Refraction: 1.619
Molar Refractivity: 43.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 122.8±3.0 cm3

Click to predict properties on the Chemicalize site


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