ChemSpider 2D Image | 3-[(~2~H_5_)-3-Oxetanyloxy]aniline | C9H6D5NO2

3-[(2H5)-3-Oxetanyloxy]aniline

  • Molecular FormulaC9H6D5NO2
  • Average mass170.220 Da
  • Monoisotopic mass170.110367 Da
  • ChemSpider ID111331908

  • Non-standard isotope - Non-standard isotope

More details:

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

3-[(2H5)-3-Oxetanyloxy]anilin [German] [ACD/IUPAC Name]
3-[(2H5)-3-Oxetanyloxy]aniline [ACD/IUPAC Name]
3-[(2H5)-3-Oxétanyloxy]aniline [French] [ACD/IUPAC Name]
Benzenamine, 3-(3-oxetanyl-d5-oxy)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 326.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 165.4±32.4 °C
Index of Refraction: 1.603
Molar Refractivity: 46.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 52.82
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.88
ACD/KOC (pH 7.4): 54.67
Polar Surface Area: 44 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 133.8±3.0 cm3

Click to predict properties on the Chemicalize site


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