Found 2 results

Search term: BWRSSKWDEAXCAE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | ethyl 4-(3-{[(4-ethylphenyl)imino]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate | C24H26N2O2

ethyl 4-(3-{[(4-ethylphenyl)imino]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

  • Molecular FormulaC24H26N2O2
  • Average mass374.475 Da
  • Monoisotopic mass374.199432 Da
  • ChemSpider ID35416446

More details:

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

4-(3-{[(4-Éthylphényl)imino]méthyl}-2,5-diméthyl-1H-pyrrol-1-yl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[[(4-ethylphenyl)imino]methyl]-2,5-dimethyl-1H-pyrrol-1-yl]-, ethyl ester [ACD/Index Name]
ethyl 4-(3-{[(4-ethylphenyl)imino]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate [ACD/IUPAC Name]
Ethyl-4-(3-{[(4-ethylphenyl)imino]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoat [German] [ACD/IUPAC 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: 542.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 281.9±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 114.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 20783.35
ACD/KOC (pH 5.5): 42623.64
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21212.67
ACD/KOC (pH 7.4): 43504.11
Polar Surface Area: 44 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 349.0±7.0 cm3

Click to predict properties on the Chemicalize site


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