ChemSpider 2D Image | 4-{2-[(~2~H_3_)Methylamino]ethyl}-1,2-benzenediol | C9H10D3NO2

4-{2-[(2H3)Methylamino]ethyl}-1,2-benzenediol

  • Molecular FormulaC9H10D3NO2
  • Average mass170.223 Da
  • Monoisotopic mass170.113464 Da
  • ChemSpider ID78333927

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzenediol, 4-[2-(methyl-d3-amino)ethyl]- [ACD/Index Name]
4-{2-[(2H3)Methylamino]ethyl}-1,2-benzenediol [ACD/IUPAC Name]
4-{2-[(2H3)Méthylamino]éthyl}-1,2-benzènediol [French] [ACD/IUPAC Name]
4-{2-[(2H3)Methylamino]ethyl}-1,2-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 328.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 154.3±14.3 °C
Index of Refraction: 1.576
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 52 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 144.4±3.0 cm3

Click to predict properties on the Chemicalize site


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