ChemSpider 2D Image | (2S)-2-{Bis[(~2~H_3_)methyl]amino}-1-phenyl-1-propanone | C11H9D6NO

(2S)-2-{Bis[(2H3)methyl]amino}-1-phenyl-1-propanone

  • Molecular FormulaC11H9D6NO
  • Average mass183.280 Da
  • Monoisotopic mass183.153030 Da
  • ChemSpider ID78362028

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-{Bis[(2H3)methyl]amino}-1-phenyl-1-propanon [German] [ACD/IUPAC Name]
(2S)-2-{Bis[(2H3)methyl]amino}-1-phenyl-1-propanone [ACD/IUPAC Name]
(2S)-2-{Bis[(2H3)méthyl]amino}-1-phényl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 2-(dimethyl-d3-amino)-1-phenyl-, (2S)- [ACD/Index 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: 256.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.4±3.0 kJ/mol
Flash Point: 84.9±12.0 °C
Index of Refraction: 1.517
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.30
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 7.78
ACD/KOC (pH 7.4): 124.35
Polar Surface Area: 20 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 178.1±3.0 cm3

Click to predict properties on the Chemicalize site


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