Found 43 results

Search term: MF = 'C_{25}H_{27}IN_{2}O_{2}'
ChemSpider 2D Image | 2-{[(4-Iodophenyl)amino]methyl}-1-(2-methylbenzyl)-5-[(3-methyl-2-buten-1-yl)oxy]-4(1H)-pyridinone | C25H27IN2O2

2-{[(4-Iodophenyl)amino]methyl}-1-(2-methylbenzyl)-5-[(3-methyl-2-buten-1-yl)oxy]-4(1H)-pyridinone

  • Molecular FormulaC25H27IN2O2
  • Average mass514.398 Da
  • Monoisotopic mass514.111694 Da
  • ChemSpider ID123830339

More details:

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

2-{[(4-Iodophenyl)amino]methyl}-1-(2-methylbenzyl)-5-[(3-methyl-2-buten-1-yl)oxy]-4(1H)-pyridinone [ACD/IUPAC Name]
2-{[(4-Iodophényl)amino]méthyl}-1-(2-méthylbenzyl)-5-[(3-méthyl-2-butén-1-yl)oxy]-4(1H)-pyridinone [French] [ACD/IUPAC Name]
2-{[(4-Iodphenyl)amino]methyl}-1-(2-methylbenzyl)-5-[(3-methyl-2-buten-1-yl)oxy]-4(1H)-pyridinon [German] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-[[(4-iodophenyl)amino]methyl]-5-[(3-methyl-2-buten-1-yl)oxy]-1-[(2-methylphenyl)methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 625.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.2±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 131.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9846.49
ACD/KOC (pH 5.5): 25008.79
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 9996.31
ACD/KOC (pH 7.4): 25389.30
Polar Surface Area: 42 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 358.6±5.0 cm3

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