ChemSpider 2D Image | 5-Quinazolinecarbonitrile | C9H5N3

5-Quinazolinecarbonitrile

  • Molecular FormulaC9H5N3
  • Average mass155.156 Da
  • Monoisotopic mass155.048340 Da
  • ChemSpider ID27471159

More details:

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

1231761-02-6 [RN]
5-Chinazolincarbonitril [German] [ACD/IUPAC Name]
5-Quinazolinecarbonitrile [ACD/Index Name] [ACD/IUPAC Name]
5-Quinazolinecarbonitrile [French] [ACD/Index Name] [ACD/IUPAC Name]
quinazoline-5-carbonitrile
36082-71-0 [RN]
4-Cyanoquinazoline
5-Cyanoquinazoline
Chemistry 17038
MFCD21642001

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 334.1±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.7±3.0 kJ/mol
    Flash Point: 118.1±5.6 °C
    Index of Refraction: 1.662
    Molar Refractivity: 44.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.32
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 4.16
    ACD/KOC (pH 5.5): 96.05
    ACD/LogD (pH 7.4): 1.13
    ACD/BCF (pH 7.4): 4.23
    ACD/KOC (pH 7.4): 97.66
    Polar Surface Area: 50 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 71.2±5.0 dyne/cm
    Molar Volume: 120.2±5.0 cm3

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