ChemSpider 2D Image | (2E)-N-Benzyl-2-cyano-3-(3-ethoxy-5-iodo-4-propoxyphenyl)-2-propenimidic acid | C22H23IN2O3

(2E)-N-Benzyl-2-cyano-3-(3-ethoxy-5-iodo-4-propoxyphenyl)-2-propenimidic acid

  • Molecular FormulaC22H23IN2O3
  • Average mass490.334 Da
  • Monoisotopic mass490.075317 Da
  • ChemSpider ID57279354

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-Benzyl-2-cyan-3-(3-ethoxy-5-iod-4-propoxyphenyl)-2-propenimidsäure [German] [ACD/IUPAC Name]
(2E)-N-Benzyl-2-cyano-3-(3-ethoxy-5-iodo-4-propoxyphenyl)-2-propenimidic acid [ACD/IUPAC Name]
2-Propenimidic acid, 2-cyano-3-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(phenylmethyl)-, (2E)- [ACD/Index Name]
Acide (2E)-N-benzyl-2-cyano-3-(3-éthoxy-5-iodo-4-propoxyphényl)-2-propénimidique [French] [ACD/IUPAC Name]
(2E)-N-BENZYL-2-CYANO-3-(3-ETHOXY-5-IODO-4-PROPOXYPHENYL)PROP-2-ENAMIDE
(E)-N-BENZYL-2-CYANO-3-(3-ETHOXY-5-IODO-4-PROPOXYPHENYL)PROP-2-ENAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 612.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.3±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 119.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 77.73
ACD/KOC (pH 5.5): 226.66
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 70.61
ACD/KOC (pH 7.4): 205.89
Polar Surface Area: 75 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 357.2±7.0 cm3

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