ChemSpider 2D Image | UNII:L4I4B1R01F | C11H13NO3

UNII:L4I4B1R01F

  • 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
UNII:L4I4B1R01F
(S)-2-METHYLAMIO-1-(3,4-METHYLENEDIOXYPHENYL)PROPAN-1-ONE
(S)-METHYLONE
More...
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-03439]
    • Safety:

      20/21/22 Novochemy [NC-03439]
      20/21/36/37/39 Novochemy [NC-03439]
      GHS07; GHS09 Novochemy [NC-03439]
      H332; H403 Novochemy [NC-03439]
      P301+P310; P337+P313 Novochemy [NC-03439]
      R52/53 Novochemy [NC-03439]
      Warning Novochemy [NC-03439]
  • Gas Chromatography

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

Click to predict properties on the Chemicalize site





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