ChemSpider 2D Image | N-(2-Methylbenzyl)-N-{[1-(2-methylbenzyl)-1H-pyrrol-2-yl]methyl}cyclohexanamine | C27H34N2

N-(2-Methylbenzyl)-N-{[1-(2-methylbenzyl)-1H-pyrrol-2-yl]methyl}cyclohexanamine

  • Molecular FormulaC27H34N2
  • Average mass386.572 Da
  • Monoisotopic mass386.272186 Da
  • ChemSpider ID22583676

More details:






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

1H-Pyrrole-2-methanamine, N-cyclohexyl-N,1-bis[(2-methylphenyl)methyl]- [ACD/Index Name]
N-(2-Methylbenzyl)-N-{[1-(2-methylbenzyl)-1H-pyrrol-2-yl]methyl}cyclohexanamin [German] [ACD/IUPAC Name]
N-(2-Methylbenzyl)-N-{[1-(2-methylbenzyl)-1H-pyrrol-2-yl]methyl}cyclohexanamine [ACD/IUPAC Name]
N-(2-Méthylbenzyl)-N-{[1-(2-méthylbenzyl)-1H-pyrrol-2-yl]méthyl}cyclohexanamine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 517.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 267.0±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 124.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 105.04
ACD/KOC (pH 5.5): 154.26
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 3844.57
ACD/KOC (pH 7.4): 5646.05
Polar Surface Area: 8 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 372.8±7.0 cm3

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