Found 14335 results

Search term: C13H16N4O3 (Found by molecular formula)
ChemSpider 2D Image | 2-[4-(2-Hydroxyethyl)-1-piperazinyl]-5-nitrobenzonitrile | C13H16N4O3

2-[4-(2-Hydroxyethyl)-1-piperazinyl]-5-nitrobenzonitrile

  • Molecular FormulaC13H16N4O3
  • Average mass276.291 Da
  • Monoisotopic mass276.122253 Da
  • ChemSpider ID21633868

More details:

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

2-[4-(2-Hydroxyethyl)-1-piperazinyl]-5-nitrobenzonitril [German] [ACD/IUPAC Name]
2-[4-(2-Hydroxyethyl)-1-piperazinyl]-5-nitrobenzonitrile [ACD/IUPAC Name]
2-[4-(2-Hydroxyéthyl)-1-pipérazinyl]-5-nitrobenzonitrile [French] [ACD/IUPAC Name]
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-5-nitrobenzonitrile
288251-81-0 [RN]
Benzonitrile, 2-[4-(2-hydroxyethyl)-1-piperazinyl]-5-nitro- [ACD/Index Name]
2-(4-(2-Hydroxyethyl)piperazin-1-yl)-5-nitrobenzonitrile
2-[4-(2-hydroxyethyl)piperazinyl]-5-nitrobenzenecarbonitrile

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

MFCD09455438 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 499.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.9±3.0 kJ/mol
    Flash Point: 255.9±28.7 °C
    Index of Refraction: 1.637
    Molar Refractivity: 72.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.21
    ACD/LogD (pH 5.5): -0.82
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.40
    ACD/LogD (pH 7.4): 0.68
    ACD/BCF (pH 7.4): 1.72
    ACD/KOC (pH 7.4): 44.17
    Polar Surface Area: 96 Å2
    Polarizability: 28.7±0.5 10-24cm3
    Surface Tension: 72.7±5.0 dyne/cm
    Molar Volume: 201.7±5.0 cm3

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