ChemSpider 2D Image | (2R)-1-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-propanamine | C12H17NO4

(2R)-1-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-propanamine

  • Molecular FormulaC12H17NO4
  • Average mass239.268 Da
  • Monoisotopic mass239.115753 Da
  • ChemSpider ID32799146

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-propanamin [German] [ACD/IUPAC Name]
(2R)-1-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-propanamine [ACD/IUPAC Name]
(2R)-1-(6,7-Diméthoxy-1,3-benzodioxol-5-yl)-2-propanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-ethanamine, 6,7-dimethoxy-α-methyl-, (αR)- [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: 325.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 153.5±20.2 °C
Index of Refraction: 1.541
Molar Refractivity: 63.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 202.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement