ChemSpider 2D Image | 4-{1-Hydroxy-2-[(4-hydroxy-2-butanyl)amino]ethyl}-1,2-benzenediol | C12H19NO4

4-{1-Hydroxy-2-[(4-hydroxy-2-butanyl)amino]ethyl}-1,2-benzenediol

  • Molecular FormulaC12H19NO4
  • Average mass241.284 Da
  • Monoisotopic mass241.131409 Da
  • ChemSpider ID25040507

More details:






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

1,2-Benzenediol, 4-[1-hydroxy-2-[(3-hydroxy-1-methylpropyl)amino]ethyl]- [ACD/Index Name]
4-{1-Hydroxy-2-[(4-hydroxy-2-butanyl)amino]ethyl}-1,2-benzenediol [ACD/IUPAC Name]
4-{1-Hydroxy-2-[(4-hydroxy-2-butanyl)amino]éthyl}-1,2-benzènediol [French] [ACD/IUPAC Name]
4-{1-Hydroxy-2-[(4-hydroxy-2-butanyl)amino]ethyl}-1,2-benzoldiol [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 489.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 205.6±19.3 °C
Index of Refraction: 1.596
Molar Refractivity: 64.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -3.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 190.1±3.0 cm3

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