Found 1 result

Search term: IMQRUZYLMYCWBI-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-(2-{[(4-Biphenylylcarbonyl)(isopropyl)amino]methyl}phenoxy)hexanoic acid | C29H33NO4

6-(2-{[(4-Biphenylylcarbonyl)(isopropyl)amino]methyl}phenoxy)hexanoic acid

  • Molecular FormulaC29H33NO4
  • Average mass459.577 Da
  • Monoisotopic mass459.240967 Da
  • ChemSpider ID59052379

More details:

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

6-(2-{[(4-Biphenylylcarbonyl)(isopropyl)amino]methyl}phenoxy)hexanoic acid [ACD/IUPAC Name]
6-(2-{[(4-Biphenylylcarbonyl)(isopropyl)amino]methyl}phenoxy)hexansäure [German] [ACD/IUPAC Name]
Acide 6-(2-{[(4-biphénylylcarbonyl)(isopropyl)amino]méthyl}phénoxy)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[2-[[([1,1'-biphenyl]-4-ylcarbonyl)(1-methylethyl)amino]methyl]phenoxy]- [ACD/Index Name]
6-(2-{[([1,1'-Biphenyl]-4-Carbonyl)(Propan-2-Yl)amino]methyl}phenoxy)hexanoic Acid
7UJ

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

Density: 1.1±0.1 g/cm3
Boiling Point: 670.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 359.0±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 134.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 641.23
ACD/KOC (pH 5.5): 2064.19
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 10.21
ACD/KOC (pH 7.4): 32.87
Polar Surface Area: 67 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 405.3±3.0 cm3

Click to predict properties on the Chemicalize site


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