ChemSpider 2D Image | (Z)-1-[1-(4-Iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(4-methoxybenzyl)methanimine | C22H23IN2O

(Z)-1-[1-(4-Iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(4-methoxybenzyl)methanimine

  • Molecular FormulaC22H23IN2O
  • Average mass458.335 Da
  • Monoisotopic mass458.085510 Da
  • ChemSpider ID81173652

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-1-[1-(4-Iod-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(4-methoxybenzyl)methanimin [German] [ACD/IUPAC Name]
(Z)-1-[1-(4-Iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(4-methoxybenzyl)methanimine [ACD/IUPAC Name]
(Z)-1-[1-(4-Iodo-3-méthylphényl)-2,5-diméthyl-1H-pyrrol-3-yl]-N-(4-méthoxybenzyl)méthanimine [French] [ACD/IUPAC Name]
Benzenemethanamine, N-[(1Z)-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-4-methoxy- [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: 546.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 284.2±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 116.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 13847.18
ACD/KOC (pH 5.5): 27402.06
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23836.84
ACD/KOC (pH 7.4): 47170.53
Polar Surface Area: 27 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 337.2±7.0 cm3

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