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Search term: RTJRBYKZQSYWCM-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 7-[(4-{[Benzyl(methyl)amino]methyl}benzyl)oxy]-4-(hydroxymethyl)-2H-chromen-2-one | C26H25NO4

7-[(4-{[Benzyl(methyl)amino]methyl}benzyl)oxy]-4-(hydroxymethyl)-2H-chromen-2-one

  • Molecular FormulaC26H25NO4
  • Average mass415.481 Da
  • Monoisotopic mass415.178345 Da
  • ChemSpider ID58983199

More details:

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

2H-1-Benzopyran-2-one, 4-(hydroxymethyl)-7-[[4-[[methyl(phenylmethyl)amino]methyl]phenyl]methoxy]- [ACD/Index Name]
7-[(4-{[Benzyl(methyl)amino]methyl}benzyl)oxy]-4-(hydroxymethyl)-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-[(4-{[Benzyl(methyl)amino]methyl}benzyl)oxy]-4-(hydroxymethyl)-2H-chromen-2-one [ACD/IUPAC Name]
7-[(4-{[Benzyl(méthyl)amino]méthyl}benzyl)oxy]-4-(hydroxyméthyl)-2H-chromén-2-one [French] [ACD/IUPAC 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: 604.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.2±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 119.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 4.74
ACD/KOC (pH 5.5): 24.96
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 231.46
ACD/KOC (pH 7.4): 1218.37
Polar Surface Area: 59 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 335.6±3.0 cm3

Click to predict properties on the Chemicalize site


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