ChemSpider 2D Image | N-({1-(4-Chlorophenyl)-2-methyl-5-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrrol-3-yl}methyl)cyclohexanamine | C28H35ClN2

N-({1-(4-Chlorophenyl)-2-methyl-5-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrrol-3-yl}methyl)cyclohexanamine

  • Molecular FormulaC28H35ClN2
  • Average mass435.044 Da
  • Monoisotopic mass434.248871 Da
  • ChemSpider ID127433915

More details:

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

1H-Pyrrole-3-methanamine, 1-(4-chlorophenyl)-N-cyclohexyl-5-[4-(1,1-dimethylethyl)phenyl]-2-methyl- [ACD/Index Name]
N-({1-(4-Chlorophenyl)-2-methyl-5-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrrol-3-yl}methyl)cyclohexanamine [ACD/IUPAC Name]
N-({1-(4-Chlorophényl)-2-méthyl-5-[4-(2-méthyl-2-propanyl)phényl]-1H-pyrrol-3-yl}méthyl)cyclohexanamine [French] [ACD/IUPAC Name]
N-({1-(4-Chlorphenyl)-2-methyl-5-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrrol-3-yl}methyl)cyclohexanamin [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 548.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.4±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 132.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.09
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 590.32
ACD/KOC (pH 5.5): 443.84
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 1750.59
ACD/KOC (pH 7.4): 1316.23
Polar Surface Area: 17 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 38.2±7.0 dyne/cm
Molar Volume: 395.6±7.0 cm3

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