ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-yl)-2-(methylamino)-1-propanone | C11H13NO3

1-(1,3-Benzodioxol-5-yl)-2-(methylamino)-1-propanone

  • Molecular FormulaC11H13NO3
  • Average mass207.226 Da
  • Monoisotopic mass207.089539 Da
  • ChemSpider ID21106350

More details:






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

1-(1,3-Benzodioxol-5-yl)-2-(methylamino)-1-propanon [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(methylamino)-1-propanone [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(méthylamino)-1-propanone [French] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(methylamino)propan-1-one
1-Propanone, 1-(1,3-benzodioxol-5-yl)-2-(methylamino)- [ACD/Index Name]
3,4-methylenedioxymethcathinone
bk-MDMA
186028-79-5 [RN]
2-methylamino-1-(3,4-methyl enedioxyphenyl)propan-1-one
2-Methylamino-1-(3,4-methylenedioxyphenyl)propan-1-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 350.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 165.5±27.9 °C
Index of Refraction: 1.547
Molar Refractivity: 55.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 42.03
Polar Surface Area: 48 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 174.3±3.0 cm3

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