ChemSpider 2D Image | DIPENTYLONE | C14H19NO3

DIPENTYLONE

  • Molecular FormulaC14H19NO3
  • Average mass249.306 Da
  • Monoisotopic mass249.136490 Da
  • ChemSpider ID52085278

More details:






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

1-(1,3-Benzodioxol-5-yl)-2-(dimethylamino)-1-pentanon [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(dimethylamino)-1-pentanone [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(diméthylamino)-1-pentanone [French] [ACD/IUPAC Name]
1-Pentanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)- [ACD/Index Name]
803614-36-0 [RN]
DIPENTYLONE
1-(2H-1,3-benzodioxol-5-yl)-2-(dimethylamino)pentan-1-one [ACD/IUPAC Name]

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

UNII:V41961I345 [DBID]
V41961I345 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 372.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 178.9±27.9 °C
Index of Refraction: 1.536
Molar Refractivity: 69.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.50
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 11.28
ACD/KOC (pH 7.4): 163.90
Polar Surface Area: 39 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 222.3±3.0 cm3

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