ChemSpider 2D Image | (2S)-2-(Methylamino)-1-(2,4,5-trimethylphenyl)-1-propanone | C13H19NO

(2S)-2-(Methylamino)-1-(2,4,5-trimethylphenyl)-1-propanone

  • Molecular FormulaC13H19NO
  • Average mass205.296 Da
  • Monoisotopic mass205.146667 Da
  • ChemSpider ID72842346
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-(Methylamino)-1-(2,4,5-trimethylphenyl)-1-propanon [German] [ACD/IUPAC Name]
(2S)-2-(Methylamino)-1-(2,4,5-trimethylphenyl)-1-propanone [ACD/IUPAC Name]
(2S)-2-(Méthylamino)-1-(2,4,5-triméthylphényl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 2-(methylamino)-1-(2,4,5-trimethylphenyl)-, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 323.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 118.7±24.7 °C
Index of Refraction: 1.512
Molar Refractivity: 63.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.90
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 18.82
ACD/KOC (pH 7.4): 195.08
Polar Surface Area: 29 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 212.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement