ChemSpider 2D Image | [(11Z)-11-(3-{Methyl[(~2~H_3_)methyl]amino}propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl]acetic acid | C21H20D3NO3

[(11Z)-11-(3-{Methyl[(2H3)methyl]amino}propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl]acetic acid

  • Molecular FormulaC21H20D3NO3
  • Average mass340.431 Da
  • Monoisotopic mass340.186615 Da
  • ChemSpider ID78333938
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

[(11Z)-11-(3-{Methyl[(2H3)methyl]amino}propyliden)-6,11-dihydrodibenzo[b,e]oxepin-2-yl]essigsäure [German] [ACD/IUPAC Name]
[(11Z)-11-(3-{Methyl[(2H3)methyl]amino}propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl]acetic acid [ACD/IUPAC Name]
Acide [(11Z)-11-(3-{méthyl[(2H3)méthyl]amino}propylidène)-6,11-dihydrodibenzo[b,e]oxépin-2-yl]acétique [French] [ACD/IUPAC Name]
Dibenz[b,e]oxepin-2-acetic acid, 6,11-dihydro-11-[3-(methylmethyl-d3-amino)propylidene]-, (11Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 523.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.1±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 2.11
ACD/KOC (pH 5.5): 11.44
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 11.77
Polar Surface Area: 50 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 276.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement