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Search term: CWNHXMDLIUTRIZ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 4-{4,5-bis[4-(dimethylamino)phenyl]-1-hexyl-1H-imidazol-2-yl}benzoate | C33H40N4O2

Methyl 4-{4,5-bis[4-(dimethylamino)phenyl]-1-hexyl-1H-imidazol-2-yl}benzoate

  • Molecular FormulaC33H40N4O2
  • Average mass524.696 Da
  • Monoisotopic mass524.315125 Da
  • ChemSpider ID14005772

More details:

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

4-{4,5-Bis[4-(diméthylamino)phényl]-1-hexyl-1H-imidazol-2-yl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4,5-bis[4-(dimethylamino)phenyl]-1-hexyl-1H-imidazol-2-yl]-, methyl ester [ACD/Index Name]
Methyl 4-{4,5-bis[4-(dimethylamino)phenyl]-1-hexyl-1H-imidazol-2-yl}benzoate [ACD/IUPAC Name]
Methyl-4-{4,5-bis[4-(dimethylamino)phenyl]-1-hexyl-1H-imidazol-2-yl}benzoat [German] [ACD/IUPAC Name]
4-[4,5-Bis-(4-dimethylamino-phenyl)-1-hexyl-1H-imidazol-2-yl]-benzoic acid methyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 674.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.5±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 160.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 1989.83
ACD/KOC (pH 5.5): 1962.15
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 68443.76
ACD/KOC (pH 7.4): 67491.55
Polar Surface Area: 51 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 39.0±7.0 dyne/cm
Molar Volume: 484.6±7.0 cm3

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