ChemSpider 2D Image | 3-(Dimethylamino)-1-[(2,6-~2~H_2_)phenyl]-1-(3-~2~H_1_)propanone | C11H12D3NO

3-(Dimethylamino)-1-[(2,6-2H2)phenyl]-1-(3-2H1)propanone

  • Molecular FormulaC11H12D3NO
  • Average mass180.261 Da
  • Monoisotopic mass180.134201 Da
  • ChemSpider ID9096368

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Propanone-3-d, 3-(dimethylamino)-1-(phenyl-2,6-d2)- [ACD/Index Name]
3-(Dimethylamino)-1-[(2,6-2H2)phenyl]-1-(3-2H1)propanon [German] [ACD/IUPAC Name]
3-(Dimethylamino)-1-[(2,6-2H2)phenyl]-1-(3-2H1)propanone [ACD/IUPAC Name]
3-(Diméthylamino)-1-[(2,6-2H2)phényl]-1-(3-2H1)propanone [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 267.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 91.6±12.0 °C
Index of Refraction: 1.518
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.88
Polar Surface Area: 20 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 177.7±3.0 cm3

Click to predict properties on the Chemicalize site


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