ChemSpider 2D Image | 2-[(2,2-Dimethoxyethyl)amino]-5-nitrobenzonitrile | C11H13N3O4

2-[(2,2-Dimethoxyethyl)amino]-5-nitrobenzonitrile

  • Molecular FormulaC11H13N3O4
  • Average mass251.239 Da
  • Monoisotopic mass251.090607 Da
  • ChemSpider ID21804961

More details:

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

2-[(2,2-Dimethoxyethyl)amino]-5-nitrobenzonitril [German] [ACD/IUPAC Name]
2-[(2,2-Dimethoxyethyl)amino]-5-nitrobenzonitrile [ACD/IUPAC Name]
2-[(2,2-Diméthoxyéthyl)amino]-5-nitrobenzonitrile [French] [ACD/IUPAC Name]
945299-08-1 [RN]
Benzonitrile, 2-[(2,2-dimethoxyethyl)amino]-5-nitro- [ACD/Index Name]
2-((2,2-Dimethoxyethyl)amino)-5-nitrobenzonitrile
2-(2,2-dimethoxyethylamino)-5-nitrobenzonitrile
2-[(2,2-dimethoxyethyl)amino]-5-nitrobenzenecarbonitrile

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

MFCD09455385 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 430.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.5±3.0 kJ/mol
    Flash Point: 213.9±28.7 °C
    Index of Refraction: 1.548
    Molar Refractivity: 63.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.26
    ACD/LogD (pH 5.5): 1.56
    ACD/BCF (pH 5.5): 9.05
    ACD/KOC (pH 5.5): 168.46
    ACD/LogD (pH 7.4): 1.56
    ACD/BCF (pH 7.4): 9.05
    ACD/KOC (pH 7.4): 168.46
    Polar Surface Area: 100 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 53.3±5.0 dyne/cm
    Molar Volume: 198.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement