ChemSpider 2D Image | (7S)-1,2,10-Trimethoxy-7-(methylamino)-3-[(~3~H_1_)methyloxy]-6,7-dihydrobenzo[a]heptalen-9(5H)-one | C21H24TNO5

(7S)-1,2,10-Trimethoxy-7-(methylamino)-3-[(3H1)methyloxy]-6,7-dihydrobenzo[a]heptalen-9(5H)-one

  • Molecular FormulaC21H24TNO5
  • Average mass373.435 Da
  • Monoisotopic mass373.181488 Da
  • ChemSpider ID8889732

  • 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)-1,2,10-Trimethoxy-7-(methylamino)-3-[(3H1)methyloxy]-6,7-dihydrobenzo[a]heptalen-9(5H)-on [German] [ACD/IUPAC Name]
(7S)-1,2,10-Trimethoxy-7-(methylamino)-3-[(3H1)methyloxy]-6,7-dihydrobenzo[a]heptalen-9(5H)-one [ACD/IUPAC Name]
(7S)-1,2,10-Triméthoxy-7-(méthylamino)-3-[(3H1)méthyloxy]-6,7-dihydrobenzo[a]heptalén-9(5H)-one [French] [ACD/IUPAC Name]
Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,10-trimethoxy-7-(methylamino)-3-(methyl-t-oxy)-, (7S)- [ACD/Index Name]

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

Density:
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:
Molar Refractivity:
#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:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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