ChemSpider 2D Image | N-[4-(1-{[2,6-Dimethyl-4'-(2-methyl-2-propanyl)-4-biphenylyl]oxy}-3,3-dimethylbutyl)benzoyl]-beta-alanine | C34H43NO4

N-[4-(1-{[2,6-Dimethyl-4'-(2-methyl-2-propanyl)-4-biphenylyl]oxy}-3,3-dimethylbutyl)benzoyl]-β-alanine

  • Molecular FormulaC34H43NO4
  • Average mass529.709 Da
  • Monoisotopic mass529.319214 Da
  • ChemSpider ID9845707

More details:

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

N-[4-(1-{[2,6-Dimethyl-4'-(2-methyl-2-propanyl)-4-biphenylyl]oxy}-3,3-dimethylbutyl)benzoyl]-β-alanin [German] [ACD/IUPAC Name]
N-[4-(1-{[2,6-Dimethyl-4'-(2-methyl-2-propanyl)-4-biphenylyl]oxy}-3,3-dimethylbutyl)benzoyl]-β-alanine [ACD/IUPAC Name]
N-[4-(1-{[2,6-Diméthyl-4'-(2-méthyl-2-propanyl)-4-biphénylyl]oxy}-3,3-diméthylbutyl)benzoyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[4-[1-[[4'-(1,1-dimethylethyl)-2,6-dimethyl[1,1'-biphenyl]-4-yl]oxy]-3,3-dimethylbutyl]benzoyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 671.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.7±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 21189.32
ACD/KOC (pH 5.5): 17983.70
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 362.07
ACD/KOC (pH 7.4): 307.29
Polar Surface Area: 76 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 490.0±3.0 cm3

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