ChemSpider 2D Image | 2-[(~2~H_3_)Methylamino]-1-(4-methylphenyl)-1-propanone | C11H12D3NO

2-[(2H3)Methylamino]-1-(4-methylphenyl)-1-propanone

  • Molecular FormulaC11H12D3NO
  • Average mass180.261 Da
  • Monoisotopic mass180.134201 Da
  • ChemSpider ID78333953

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Propanone, 2-(methyl-d3-amino)-1-(4-methylphenyl)- [ACD/Index Name]
2-[(2H3)Methylamino]-1-(4-methylphenyl)-1-propanon [German] [ACD/IUPAC Name]
2-[(2H3)Methylamino]-1-(4-methylphenyl)-1-propanone [ACD/IUPAC Name]
2-[(2H3)Méthylamino]-1-(4-méthylphényl)-1-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: 280.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.9±3.0 kJ/mol
Flash Point: 109.6±22.8 °C
Index of Refraction: 1.513
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.31
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 8.04
ACD/KOC (pH 7.4): 126.64
Polar Surface Area: 29 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 179.4±3.0 cm3

Click to predict properties on the Chemicalize site


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