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Search term: VFBWQQWVDKMENN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-(2-Aminoethyl)-3-methyl-1,2,4-benzenetriol | C9H13NO3

5-(2-Aminoethyl)-3-methyl-1,2,4-benzenetriol

  • Molecular FormulaC9H13NO3
  • Average mass183.204 Da
  • Monoisotopic mass183.089539 Da
  • ChemSpider ID57503571

More details:

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

1,2,4-Benzenetriol, 5-(2-aminoethyl)-3-methyl- [ACD/Index Name]
5-(2-Aminoethyl)-3-methyl-1,2,4-benzenetriol [ACD/IUPAC Name]
5-(2-Aminoéthyl)-3-méthyl-1,2,4-benzènetriol [French] [ACD/IUPAC Name]
5-(2-Aminoethyl)-3-methyl-1,2,4-benzoltriol [German] [ACD/IUPAC Name]
41241-42-3 [RN]
5-(2-Aminoethyl)-3-methylbenzene-1,2,4-triol
MFCD20711153

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

Density: 1.3±0.1 g/cm3
Boiling Point: 422.0±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 209.0±20.1 °C
Index of Refraction: 1.644
Molar Refractivity: 49.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 137.5±3.0 cm3

Click to predict properties on the Chemicalize site


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