ChemSpider 2D Image | 5-[2-(Methylamino)ethyl]-1,2,3-benzenetriol | C9H13NO3

5-[2-(Methylamino)ethyl]-1,2,3-benzenetriol

  • Molecular FormulaC9H13NO3
  • Average mass183.204 Da
  • Monoisotopic mass183.089539 Da
  • ChemSpider ID98560682

More details:

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

1,2,3-Benzenetriol, 5-[2-(methylamino)ethyl]- [ACD/Index Name]
5-[2-(Methylamino)ethyl]-1,2,3-benzenetriol [ACD/IUPAC Name]
5-[2-(Méthylamino)éthyl]-1,2,3-benzènetriol [French] [ACD/IUPAC Name]
5-[2-(Methylamino)ethyl]-1,2,3-benzoltriol [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 397.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 196.8±17.1 °C
Index of Refraction: 1.612
Molar Refractivity: 49.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -2.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 142.9±3.0 cm3

Click to predict properties on the Chemicalize site


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