ChemSpider 2D Image | N-[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]-7-oxo-7-{[4-(trifluoromethyl)phenyl]amino}-2-heptanaminium | C22H28F3N2O4

N-[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]-7-oxo-7-{[4-(trifluoromethyl)phenyl]amino}-2-heptanaminium

  • Molecular FormulaC22H28F3N2O4
  • Average mass441.463 Da
  • Monoisotopic mass441.199554 Da
  • ChemSpider ID24814317
  • Charge - Charge


More details:






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

Heptanamide, 6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-[4-(trifluoromethyl)phenyl]-, conjugate monoacid [ACD/Index Name]
N-[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]-7-oxo-7-{[4-(trifluormethyl)phenyl]amino}-2-heptanaminium [German] [ACD/IUPAC Name]
N-[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]-7-oxo-7-{[4-(trifluoromethyl)phenyl]amino}-2-heptanaminium [ACD/IUPAC Name]
N-[2-(3,4-Dihydroxyphényl)-2-hydroxyéthyl]-7-oxo-7-{[4-(trifluorométhyl)phényl]amino}-2-heptanaminium [French] [ACD/IUPAC Name]
ZINC02012433

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

Density:
Boiling Point: 666.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 357.1±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.05
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 15.63
Polar Surface Area: 106 Å2
Polarizability:
Surface Tension:
Molar Volume:

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