ChemSpider 2D Image | 4-[2-(Nitroamino)ethyl]-1,2-benzenediol | C8H10N2O4

4-[2-(Nitroamino)ethyl]-1,2-benzenediol

  • Molecular FormulaC8H10N2O4
  • Average mass198.176 Da
  • Monoisotopic mass198.064056 Da
  • ChemSpider ID26668195

More details:

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

1,2-Benzenediol, 4-[2-(nitroamino)ethyl]- [ACD/Index Name]
4-[2-(Nitroamino)ethyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[2-(Nitroamino)éthyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[2-(Nitroamino)ethyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
nitrodopamine
nitro-dopamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 442.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 221.3±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.96
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 98 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 140.7±3.0 cm3

Click to predict properties on the Chemicalize site


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