Found 254 results

Search term: MF = 'C_{34}H_{31}NO_{4}'
ChemSpider 2D Image | 3-{2-[(Dibenzylamino)methyl]-3-oxo-1-phenylbutyl}-4-hydroxy-2H-chromen-2-one | C34H31NO4

3-{2-[(Dibenzylamino)methyl]-3-oxo-1-phenylbutyl}-4-hydroxy-2H-chromen-2-one

  • Molecular FormulaC34H31NO4
  • Average mass517.614 Da
  • Monoisotopic mass517.225281 Da
  • ChemSpider ID21493559

More details:

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

2H-1-Benzopyran-2-one, 3-[2-[[bis(phenylmethyl)amino]methyl]-3-oxo-1-phenylbutyl]-4-hydroxy- [ACD/Index Name]
3-{2-[(Dibenzylamino)methyl]-3-oxo-1-phenylbutyl}-4-hydroxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-{2-[(Dibenzylamino)methyl]-3-oxo-1-phenylbutyl}-4-hydroxy-2H-chromen-2-one [ACD/IUPAC Name]
3-{2-[(Dibenzylamino)méthyl]-3-oxo-1-phénylbutyl}-4-hydroxy-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: 695.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.4±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 151.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.87
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 447.89
ACD/KOC (pH 5.5): 704.47
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 98.89
ACD/KOC (pH 7.4): 155.53
Polar Surface Area: 67 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 414.3±3.0 cm3

Click to predict properties on the Chemicalize site


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