ChemSpider 2D Image | Pentylone | C13H17NO3

Pentylone

  • Molecular FormulaC13H17NO3
  • Average mass235.279 Da
  • Monoisotopic mass235.120850 Da
  • ChemSpider ID29786041

More details:






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

1-(1,3-Benzodioxol-5-yl)-2-(methylamino)-1-pentanon [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(methylamino)-1-pentanone [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(méthylamino)-1-pentanone [French] [ACD/IUPAC Name]
1-Pentanone, 1-(1,3-benzodioxol-5-yl)-2-(methylamino)- [ACD/Index Name]
698963-77-8 [RN]
bk-MBDP
bk-Methyl-K
IGN39WGH0Q
Pentylone [Wiki]
UNII:IGN39WGH0Q
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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: 374.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 180.4±27.9 °C
Index of Refraction: 1.535
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 54.24
Polar Surface Area: 48 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 207.4±3.0 cm3

Click to predict properties on the Chemicalize site





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