ChemSpider 2D Image | 5-(2-Aminoethyl)-3-bromo-4-methoxy-1,2-benzenediol | C9H12BrNO3

5-(2-Aminoethyl)-3-bromo-4-methoxy-1,2-benzenediol

  • Molecular FormulaC9H12BrNO3
  • Average mass262.100 Da
  • Monoisotopic mass261.000061 Da
  • ChemSpider ID61010862

More details:

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

1,2-Benzenediol, 5-(2-aminoethyl)-3-bromo-4-methoxy- [ACD/Index Name]
5-(2-Aminoethyl)-3-brom-4-methoxy-1,2-benzoldiol [German] [ACD/IUPAC Name]
5-(2-Aminoethyl)-3-bromo-4-methoxy-1,2-benzenediol [ACD/IUPAC Name]
5-(2-Aminoéthyl)-3-bromo-4-méthoxy-1,2-benzènediol [French] [ACD/IUPAC Name]
90485-28-2 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 394.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 192.1±26.5 °C
Index of Refraction: 1.623
Molar Refractivity: 57.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.03
Polar Surface Area: 76 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 163.0±3.0 cm3

Click to predict properties on the Chemicalize site


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