ChemSpider 2D Image | 4-{[(4-Carboxybutyl)(2-{2-[(4'-phenoxy-4-biphenylyl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid | C40H39NO6

4-{[(4-Carboxybutyl)(2-{2-[(4'-phenoxy-4-biphenylyl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid

  • Molecular FormulaC40H39NO6
  • Average mass629.741 Da
  • Monoisotopic mass629.277710 Da
  • ChemSpider ID30841386

More details:

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

4-{[(4-Carboxybutyl)(2-{2-[(4'-phenoxy-4-biphenylyl)methoxy]phenyl}ethyl)amino]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[(4-Carboxybutyl)(2-{2-[(4'-phenoxy-4-biphenylyl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid [ACD/IUPAC Name]
4-{[(4-Carboxybutyl)(2-{2-[(4'-Phenoxybiphenyl-4-Yl)methoxy]phenyl}ethyl)amino]methyl}benzoic Acid
Acide 4-{[(4-carboxybutyl)(2-{2-[(4'-phénoxy-4-biphénylyl)méthoxy]phényl}éthyl)amino]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(4-carboxybutyl)[2-[2-[(4'-phenoxy[1,1'-biphenyl]-4-yl)methoxy]phenyl]ethyl]amino]methyl]- [ACD/Index Name]
1MF

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

Density: 1.2±0.1 g/cm3
Boiling Point: 797.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 436.0±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 182.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 9.10
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 929.24
ACD/KOC (pH 5.5): 590.84
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 385.37
ACD/KOC (pH 7.4): 245.03
Polar Surface Area: 96 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 517.0±3.0 cm3

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