ChemSpider 2D Image | 1-(6-Ethoxy-1,3-benzodioxol-5-yl)-2-propanamine | C12H17NO3

1-(6-Ethoxy-1,3-benzodioxol-5-yl)-2-propanamine

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID34243401

More details:

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

1-(6-Ethoxy-1,3-benzodioxol-5-yl)-2-propanamin [German] [ACD/IUPAC Name]
1-(6-Ethoxy-1,3-benzodioxol-5-yl)-2-propanamine [ACD/IUPAC Name]
1-(6-Éthoxy-1,3-benzodioxol-5-yl)-2-propanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-ethanamine, 6-ethoxy-α-methyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 320.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 151.2±20.2 °C
Index of Refraction: 1.544
Molar Refractivity: 61.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.88
Polar Surface Area: 54 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 194.5±3.0 cm3

Click to predict properties on the Chemicalize site


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