ChemSpider 2D Image | (3R,6S)-6-(Dimethylamino)-4,4-diphenyl-3-(1,1,1-~2~H_3_)heptanol | C21H26D3NO

(3R,6S)-6-(Dimethylamino)-4,4-diphenyl-3-(1,1,1-2H3)heptanol

  • Molecular FormulaC21H26D3NO
  • Average mass314.479 Da
  • Monoisotopic mass314.243744 Da
  • ChemSpider ID76920430

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,6S)-6-(Dimethylamino)-4,4-diphenyl-3-(1,1,1-2H3)heptanol [German] [ACD/IUPAC Name]
(3R,6S)-6-(Dimethylamino)-4,4-diphenyl-3-(1,1,1-2H3)heptanol [ACD/IUPAC Name]
(3R,6S)-6-(Diméthylamino)-4,4-diphényl-3-(1,1,1-2H3)heptanol [French] [ACD/IUPAC Name]
Benzeneethanol, β-[(2S)-2-(dimethylamino)propyl]-α-(ethyl-2,2,2-d3)-β-phenyl-, (αR)- [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: 437.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 168.4±25.3 °C
Index of Refraction: 1.547
Molar Refractivity: 97.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.11
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 8.72
ACD/KOC (pH 7.4): 43.94
Polar Surface Area: 23 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 307.3±3.0 cm3

Click to predict properties on the Chemicalize site


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