ChemSpider 2D Image | 1-(7-Methoxy-1,3-benzodioxol-5-yl)-2-butanamine | C12H17NO3

1-(7-Methoxy-1,3-benzodioxol-5-yl)-2-butanamine

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID26493195

More details:

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

1-(7-Methoxy-1,3-benzodioxol-5-yl)-2-butanamin [German] [ACD/IUPAC Name]
1-(7-Methoxy-1,3-benzodioxol-5-yl)-2-butanamine [ACD/IUPAC Name]
1-(7-Méthoxy-1,3-benzodioxol-5-yl)-2-butanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-ethanamine, α-ethyl-7-methoxy- [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: 331.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.4±3.0 kJ/mol
Flash Point: 160.8±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: 2.37
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.04
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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