ChemSpider 2D Image | 1-(1,3-Benzodioxol-4-yl)-N-methyl-2-butanamine | C12H17NO2

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

  • Molecular FormulaC12H17NO2
  • Average mass207.269 Da
  • Monoisotopic mass207.125931 Da
  • ChemSpider ID74897977

More details:

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

1-(1,3-Benzodioxol-4-yl)-N-methyl-2-butanamin [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-4-yl)-N-methyl-2-butanamine [ACD/IUPAC Name]
1-(1,3-Benzodioxol-4-yl)-N-méthyl-2-butanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-4-ethanamine, α-ethyl-N-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: 303.3±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.4±3.0 kJ/mol
Flash Point: 123.4±11.5 °C
Index of Refraction: 1.531
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 30 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 192.1±3.0 cm3

Click to predict properties on the Chemicalize site


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