ChemSpider 2D Image | {[1-(4-Iodo-2,5-dimethoxyphenyl)-2-propanyl]amino}acetonitrile | C13H17IN2O2

{[1-(4-Iodo-2,5-dimethoxyphenyl)-2-propanyl]amino}acetonitrile

  • Molecular FormulaC13H17IN2O2
  • Average mass360.191 Da
  • Monoisotopic mass360.033478 Da
  • ChemSpider ID23110979

More details:

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

{[1-(4-Iod-2,5-dimethoxyphenyl)-2-propanyl]amino}acetonitril [German] [ACD/IUPAC Name]
{[1-(4-Iodo-2,5-dimethoxyphenyl)-2-propanyl]amino}acetonitrile [ACD/IUPAC Name]
{[1-(4-Iodo-2,5-diméthoxyphényl)-2-propanyl]amino}acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[[2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethyl]amino]- [ACD/Index Name]
[2-(4-Iodo-2,5-dimethoxy-phenyl)-1-methyl-ethylamino]-acetonitrile
{[1-(4-iodo-2,5-dimethoxyphenyl)propan-2-yl]amino}acetonitrile

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

Density: 1.5±0.1 g/cm3
Boiling Point: 456.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.7±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.53
ACD/KOC (pH 5.5): 388.97
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.53
ACD/KOC (pH 7.4): 402.08
Polar Surface Area: 54 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 244.4±3.0 cm3

Click to predict properties on the Chemicalize site


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