ChemSpider 2D Image | [4-(2-Iodobenzoyl)-1-piperazinyl]acetonitrile | C13H14IN3O

[4-(2-Iodobenzoyl)-1-piperazinyl]acetonitrile

  • Molecular FormulaC13H14IN3O
  • Average mass355.174 Da
  • Monoisotopic mass355.018158 Da
  • ChemSpider ID30498544

More details:

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

[4-(2-Iodbenzoyl)-1-piperazinyl]acetonitril [German] [ACD/IUPAC Name]
[4-(2-Iodobenzoyl)-1-piperazinyl]acetonitrile [ACD/IUPAC Name]
[4-(2-Iodobenzoyl)-1-pipérazinyl]acétonitrile [French] [ACD/IUPAC Name]
1-Piperazineacetonitrile, 4-(2-iodobenzoyl)- [ACD/Index Name]
2-[4-(2-IODOBENZOYL)PIPERAZIN-1-YL]ACETONITRILE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 476.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.7±28.7 °C
Index of Refraction: 1.626
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.01
ACD/KOC (pH 5.5): 167.73
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.05
ACD/KOC (pH 7.4): 168.45
Polar Surface Area: 47 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 218.6±3.0 cm3

Click to predict properties on the Chemicalize site


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