ChemSpider 2D Image | N-[3-(3-Iodophenoxy)propyl]-3-(4H-1,2,4-triazol-3-yl)aniline | C17H17IN4O

N-[3-(3-Iodophenoxy)propyl]-3-(4H-1,2,4-triazol-3-yl)aniline

  • Molecular FormulaC17H17IN4O
  • Average mass420.247 Da
  • Monoisotopic mass420.044708 Da
  • ChemSpider ID65091290

More details:

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

Benzenamine, N-[3-(3-iodophenoxy)propyl]-3-(4H-1,2,4-triazol-3-yl)- [ACD/Index Name]
N-[3-(3-Iodophenoxy)propyl]-3-(4H-1,2,4-triazol-3-yl)aniline [ACD/IUPAC Name]
N-[3-(3-Iodophénoxy)propyl]-3-(4H-1,2,4-triazol-3-yl)aniline [French] [ACD/IUPAC Name]
N-[3-(3-Iodphenoxy)propyl]-3-(4H-1,2,4-triazol-3-yl)anilin [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 623.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.8±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 300.07
ACD/KOC (pH 5.5): 2045.82
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 308.86
ACD/KOC (pH 7.4): 2105.79
Polar Surface Area: 63 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 262.4±3.0 cm3

Click to predict properties on the Chemicalize site


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