Found 22 results

Search term: MF = 'C_{39}H_{45}NO_{6}'
ChemSpider 2D Image | 1,1'-[(Propylimino)bis{[(2S)-2-hydroxy-3,1-propanediyl]oxy-2,1-phenylene}]bis(3-phenyl-1-propanone) | C39H45NO6

1,1'-[(Propylimino)bis{[(2S)-2-hydroxy-3,1-propanediyl]oxy-2,1-phenylene}]bis(3-phenyl-1-propanone)

  • Molecular FormulaC39H45NO6
  • Average mass623.778 Da
  • Monoisotopic mass623.324707 Da
  • ChemSpider ID34986170

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,1'-[(Propylimino)bis{[(2S)-2-hydroxy-3,1-propandiyl]oxy-2,1-phenylen}]bis(3-phenyl-1-propanon) [German] [ACD/IUPAC Name]
1,1'-[(Propylimino)bis{[(2S)-2-hydroxy-3,1-propanediyl]oxy-2,1-phenylene}]bis(3-phenyl-1-propanone) [ACD/IUPAC Name]
1,1'-[(Propylimino)bis{[(2S)-2-hydroxy-3,1-propanediyl]oxy-2,1-phénylène}]bis(3-phényl-1-propanone) [French] [ACD/IUPAC Name]
1-Propanone, 1,1'-[(propylimino)bis[[(2S)-2-hydroxy-3,1-propanediyl]oxy-2,1-phenylene]]bis[3-phenyl- [ACD/Index Name]
1346603-80-2 [RN]
PROPAFENONE DIMER
UNII-0MP575RZ2K

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

Density: 1.2±0.1 g/cm3
Boiling Point: 784.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.2±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 181.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 548.93
ACD/KOC (pH 5.5): 797.80
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 25413.95
ACD/KOC (pH 7.4): 36935.93
Polar Surface Area: 96 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 534.4±3.0 cm3

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