ChemSpider 2D Image | 4-[2-(Isobutylamino)ethyl]-1,2-benzenediol | C12H19NO2

4-[2-(Isobutylamino)ethyl]-1,2-benzenediol

  • Molecular FormulaC12H19NO2
  • Average mass209.285 Da
  • Monoisotopic mass209.141586 Da
  • ChemSpider ID24207338

More details:






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

1,2-Benzenediol, 4-[2-[(2-methylpropyl)amino]ethyl]- [ACD/Index Name]
4-[2-(Isobutylamino)ethyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[2-(Isobutylamino)éthyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[2-(Isobutylamino)ethyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
1,2-Benzenediol, 4-[2-[(2-methylpropyl)amino]ethyl]- (9CI)
4-(2-(isobutylamino)ethyl)benzene-1,2-diol
777800-41-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 358.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 129.4±14.3 °C
Index of Refraction: 1.547
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 52 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 194.3±3.0 cm3

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