Found 1 result

Search term: MF = 'C_{21}H_{22}D_{5}NO'
ChemSpider 2D Image | (6S)-6-(Dimethylamino)-4,4-diphenyl-3-(1,1,1,2,2-~2~H_5_)heptanone | C21H22D5NO

(6S)-6-(Dimethylamino)-4,4-diphenyl-3-(1,1,1,2,2-2H5)heptanone

  • Molecular FormulaC21H22D5NO
  • Average mass314.476 Da
  • Monoisotopic mass314.240662 Da
  • ChemSpider ID107450607

  • 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

(6S)-6-(Dimethylamino)-4,4-diphenyl-3-(1,1,1,2,2-2H5)heptanon [German] [ACD/IUPAC Name]
(6S)-6-(Dimethylamino)-4,4-diphenyl-3-(1,1,1,2,2-2H5)heptanone [ACD/IUPAC Name]
(6S)-6-(Diméthylamino)-4,4-diphényl-3-(1,1,1,2,2-2H5)heptanone [French] [ACD/IUPAC Name]
3-Heptanone-1,1,1,2,2-d5, 6-(dimethylamino)-4,4-diphenyl-, (6S)- [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: 423.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 126.5±19.8 °C
Index of Refraction: 1.538
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 6.72
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 32.02
ACD/KOC (pH 7.4): 142.04
Polar Surface Area: 20 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 306.5±3.0 cm3

Click to predict properties on the Chemicalize site


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