ChemSpider 2D Image | UWA-001 | C16H17NO2

UWA-001

  • Molecular FormulaC16H17NO2
  • Average mass255.312 Da
  • Monoisotopic mass255.125931 Da
  • ChemSpider ID34245583

More details:






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

1,3-Benzodioxole-5-ethanamine, N-methyl-α-phenyl- [ACD/Index Name]
2-(1,3-Benzodioxol-5-yl)-N-methyl-1-phenylethanamin [German] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-N-methyl-1-phenylethanamine [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-N-méthyl-1-phényléthanamine [French] [ACD/IUPAC Name]
UWA-001 [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 357.4±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 149.3±8.7 °C
Index of Refraction: 1.594
Molar Refractivity: 74.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.46
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 2.67
ACD/KOC (pH 7.4): 20.66
Polar Surface Area: 30 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 220.2±3.0 cm3

Click to predict properties on the Chemicalize site





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