ChemSpider 2D Image | Dibutylone | C13H17NO3

Dibutylone

  • Molecular FormulaC13H17NO3
  • Average mass235.279 Da
  • Monoisotopic mass235.120850 Da
  • ChemSpider ID52084597

More details:

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

1-(1,3-Benzodioxol-5-yl)-2-(dimethylamino)-1-butanon [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(dimethylamino)-1-butanone [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(diméthylamino)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)- [ACD/Index Name]
3ZLY5MSD6N
802286-83-5 [RN]
Dibutylone [Wiki]
UNII:3ZLY5MSD6N
(??)-1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)butan-1-one
1-(1,3-benzodioxol-5-yl)-2-(dimethylamine)buthane-1-one [ACD/IUPAC 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: 358.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 170.7±27.9 °C
Index of Refraction: 1.541
Molar Refractivity: 64.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.05
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 9.72
ACD/KOC (pH 7.4): 147.40
Polar Surface Area: 39 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 205.8±3.0 cm3

Click to predict properties on the Chemicalize site


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