ChemSpider 2D Image | 2-{[4-(Hydroxymethyl)phenyl]amino}-1,4-naphthoquinone | C17H13NO3

2-{[4-(Hydroxymethyl)phenyl]amino}-1,4-naphthoquinone

  • Molecular FormulaC17H13NO3
  • Average mass279.290 Da
  • Monoisotopic mass279.089539 Da
  • ChemSpider ID58115913

More details:

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

1,4-Naphthalenedione, 2-[[4-(hydroxymethyl)phenyl]amino]- [ACD/Index Name]
2-{[4-(Hydroxymethyl)phenyl]amino}-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-{[4-(Hydroxymethyl)phenyl]amino}-1,4-naphthoquinone [ACD/IUPAC Name]
2-{[4-(Hydroxyméthyl)phényl]amino}-1,4-naphtoquinone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 493.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 252.1±28.7 °C
Index of Refraction: 1.718
Molar Refractivity: 78.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.83
ACD/KOC (pH 5.5): 316.28
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.83
ACD/KOC (pH 7.4): 316.28
Polar Surface Area: 66 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 73.8±3.0 dyne/cm
Molar Volume: 199.3±3.0 cm3

Click to predict properties on the Chemicalize site


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