ChemSpider 2D Image | (7S)-1,10-Dimethoxy-7-(methylamino)-2,3-bis[(~2~H_3_)methyloxy]-6,7-dihydrobenzo[a]heptalen-9(5H)-one | C21H19D6NO5

(7S)-1,10-Dimethoxy-7-(methylamino)-2,3-bis[(2H3)methyloxy]-6,7-dihydrobenzo[a]heptalen-9(5H)-one

  • Molecular FormulaC21H19D6NO5
  • Average mass377.464 Da
  • Monoisotopic mass377.210938 Da
  • ChemSpider ID114392725

  • 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

(7S)-1,10-Dimethoxy-7-(methylamino)-2,3-bis[(2H3)methyloxy]-6,7-dihydrobenzo[a]heptalen-9(5H)-on [German] [ACD/IUPAC Name]
(7S)-1,10-Dimethoxy-7-(methylamino)-2,3-bis[(2H3)methyloxy]-6,7-dihydrobenzo[a]heptalen-9(5H)-one [ACD/IUPAC Name]
(7S)-1,10-Diméthoxy-7-(méthylamino)-2,3-bis[(2H3)méthyloxy]-6,7-dihydrobenzo[a]heptalén-9(5H)-one [French] [ACD/IUPAC Name]
Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,10-dimethoxy-7-(methylamino)-2,3-bis(methyl-d3-oxy)-, (7S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 625.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.1±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.26
Polar Surface Area: 66 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 305.1±5.0 cm3

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