ChemSpider 2D Image | N-{Cyclopropyl[1-(4-iodobenzyl)-1H-pyrrol-3-yl]methyl}-1-propanamine | C18H23IN2

N-{Cyclopropyl[1-(4-iodobenzyl)-1H-pyrrol-3-yl]methyl}-1-propanamine

  • Molecular FormulaC18H23IN2
  • Average mass394.293 Da
  • Monoisotopic mass394.090576 Da
  • ChemSpider ID52523736

More details:

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

1H-Pyrrole-3-methanamine, α-cyclopropyl-1-[(4-iodophenyl)methyl]-N-propyl- [ACD/Index Name]
N-{Cyclopropyl[1-(4-iodbenzyl)-1H-pyrrol-3-yl]methyl}-1-propanamin [German] [ACD/IUPAC Name]
N-{Cyclopropyl[1-(4-iodobenzyl)-1H-pyrrol-3-yl]methyl}-1-propanamine [ACD/IUPAC Name]
N-{Cyclopropyl[1-(4-iodobenzyl)-1H-pyrrol-3-yl]méthyl}-1-propanamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 433.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.8±24.6 °C
Index of Refraction: 1.643
Molar Refractivity: 97.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 6.58
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 3.62
ACD/KOC (pH 7.4): 14.44
Polar Surface Area: 17 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 269.1±7.0 cm3

Click to predict properties on the Chemicalize site


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