ChemSpider 2D Image | Ethyl 4-[4-(2,5-dihydro-1H-pyrrol-1-ylmethyl)benzoyl]benzoate | C21H21NO3

Ethyl 4-[4-(2,5-dihydro-1H-pyrrol-1-ylmethyl)benzoyl]benzoate

  • Molecular FormulaC21H21NO3
  • Average mass335.396 Da
  • Monoisotopic mass335.152130 Da
  • ChemSpider ID21399340

More details:

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

4-[4-(2,5-Dihydro-1H-pyrrol-1-ylméthyl)benzoyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
898763-93-4 [RN]
Benzoic acid, 4-[4-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-((2,5-dihydro-1H-pyrrol-1-yl)methyl)benzoyl)benzoate
Ethyl 4-[4-(2,5-dihydro-1H-pyrrol-1-ylmethyl)benzoyl]benzoate [ACD/IUPAC Name]
Ethyl-4-[4-(2,5-dihydro-1H-pyrrol-1-ylmethyl)benzoyl]benzoat [German] [ACD/IUPAC Name]
4-carboethoxy-4'-(3-pyrrolinomethyl) benzophenone
4-carboethoxy-4-(3-pyrrolinomethyl) benzophenone
4-CARBOETHOXY-4'-(3-PYRROLINOMETHYL)BENZOPHENONE
ethyl 4-[4-(2,5-dihydropyrrol-1-ylmethyl)benzoyl]benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 486.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.8±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.84
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 43.17
ACD/KOC (pH 7.4): 267.20
Polar Surface Area: 47 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 283.9±3.0 cm3

Click to predict properties on the Chemicalize site


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