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Search term: ZEADEHHKYWFCSR-YTTGMZPUSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3'-({3-[4-(Dimethylamino)-1-hydroxy-1-phenylbutyl]phenoxy}methyl)-4-biphenylcarboxylic acid | C32H33NO4

3'-({3-[4-(Dimethylamino)-1-hydroxy-1-phenylbutyl]phenoxy}methyl)-4-biphenylcarboxylic acid

  • Molecular FormulaC32H33NO4
  • Average mass495.609 Da
  • Monoisotopic mass495.240967 Da
  • ChemSpider ID26361830

More details:

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

[1,1'-Biphenyl]-4-carboxylic acid, 3'-[[3-[4-(dimethylamino)-1-hydroxy-1-phenylbutyl]phenoxy]methyl]- [ACD/Index Name]
3'-({3-[4-(Dimethylamino)-1-hydroxy-1-phenylbutyl]phenoxy}methyl)-4-biphenylcarbonsäure [German] [ACD/IUPAC Name]
3'-({3-[4-(Dimethylamino)-1-hydroxy-1-phenylbutyl]phenoxy}methyl)-4-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 3'-({3-[4-(diméthylamino)-1-hydroxy-1-phénylbutyl]phénoxy}méthyl)-4-biphénylcarboxylique [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: 707.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.5±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 146.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 70.18
ACD/KOC (pH 5.5): 140.79
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 72.19
ACD/KOC (pH 7.4): 144.81
Polar Surface Area: 70 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 419.5±3.0 cm3

Click to predict properties on the Chemicalize site


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