ChemSpider 2D Image | 1,3-Benzodioxolyl-N-methylpentanamine | C13H19NO2

1,3-Benzodioxolyl-N-methylpentanamine

  • Molecular FormulaC13H19NO2
  • Average mass221.296 Da
  • Monoisotopic mass221.141586 Da
  • ChemSpider ID21106348

More details:






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

1-(1,3-Benzodioxol-5-yl)-N-methyl-2-pentanamin [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-N-methyl-2-pentanamine [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-N-méthyl-2-pentanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-ethanamine, N-methyl-α-propyl- [ACD/Index Name]
1,3-Benzodioxolyl-N-methylpentanamine [Wiki]
4D904VI4GR
952016-78-3 [RN]
UNII:4D904VI4GR
1-(2H-1,3-Benzodioxol-5-yl)-N-methylpentan-2-amine
MBDP
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 315.8±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 130.9±8.7 °C
Index of Refraction: 1.526
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 30 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 208.6±3.0 cm3

Click to predict properties on the Chemicalize site





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