ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-yl)-N-hydroxy-2-butanamine | C11H15NO3

4-(1,3-Benzodioxol-5-yl)-N-hydroxy-2-butanamine

  • Molecular FormulaC11H15NO3
  • Average mass209.242 Da
  • Monoisotopic mass209.105194 Da
  • ChemSpider ID40802028

More details:






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

1,3-Benzodioxole-5-propanamine, N-hydroxy-α-methyl- [ACD/Index Name]
4-(1,3-Benzodioxol-5-yl)-N-hydroxy-2-butanamin [German] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-N-hydroxy-2-butanamine [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-N-hydroxy-2-butanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 359.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 171.2±30.7 °C
Index of Refraction: 1.564
Molar Refractivity: 56.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 2.63
ACD/KOC (pH 5.5): 42.31
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.33
ACD/KOC (pH 7.4): 230.20
Polar Surface Area: 51 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 173.1±3.0 cm3

Click to predict properties on the Chemicalize site






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