ChemSpider 2D Image | N,N-Diethyl-3-[1-(4-isopropoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1-propanaminium | C27H33N2O4

N,N-Diethyl-3-[1-(4-isopropoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1-propanaminium

  • Molecular FormulaC27H33N2O4
  • Average mass449.561 Da
  • Monoisotopic mass449.243469 Da
  • ChemSpider ID24810236

  • Charge - Charge

More details:

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

[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 2-[3-(diethylamino)propyl]-1,2-dihydro-1-[4-(1-methylethoxy)phenyl]-, conjugate monoacid [ACD/Index Name]
N,N-Diethyl-3-[1-(4-isopropoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1-propanaminium [ACD/IUPAC Name]
N,N-Diethyl-3-[1-(4-isopropoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1-propanaminium [German] [ACD/IUPAC Name]
N,N-Diéthyl-3-[1-(4-isopropoxyphényl)-3,9-dioxo-3,9-dihydrochroméno[2,3-c]pyrrol-2(1H)-yl]-1-propanaminium [French] [ACD/IUPAC Name]
ZINC02417809

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

Density:
Boiling Point: 610.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.8±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.38
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 10.25
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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