ChemSpider 2D Image | MDAL | C13H17NO2

MDAL

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID21106331

More details:






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

1,3-Benzodioxole-5-ethanamine, α-methyl-N-2-propen-1-yl- [ACD/Index Name]
3,4-methylenedioxy-N-allylamphetamine [Wiki]
74698-45-6 [RN]
N-[1-(1,3-Benzodioxol-5-yl)-2-propanyl]-2-propen-1-amin [German] [ACD/IUPAC Name]
N-[1-(1,3-Benzodioxol-5-yl)-2-propanyl]-2-propen-1-amine [ACD/IUPAC Name]
N-[1-(1,3-Benzodioxol-5-yl)-2-propanyl]-2-propén-1-amine [French] [ACD/IUPAC Name]
METHYLENEDIOXYALLYLAMPHETAMINE
N-[1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl]prop-2-en-1-amine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 322.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 132.2±8.7 °C
Index of Refraction: 1.538
Molar Refractivity: 63.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.26
Polar Surface Area: 30 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 203.7±3.0 cm3

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