Found 4484 results

Search term: MF = 'C_{12}H_{14}BrN_{3}'
ChemSpider 2D Image | 2-Bromo-6-(4-methyl-1-piperazinyl)benzonitrile | C12H14BrN3

2-Bromo-6-(4-methyl-1-piperazinyl)benzonitrile

  • Molecular FormulaC12H14BrN3
  • Average mass280.164 Da
  • Monoisotopic mass279.037109 Da
  • ChemSpider ID31036349

More details:

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

1260763-01-6 [RN]
2-Brom-6-(4-methyl-1-piperazinyl)benzonitril [German] [ACD/IUPAC Name]
2-Bromo-6-(4-methyl-1-piperazinyl)benzonitrile [ACD/IUPAC Name]
2-Bromo-6-(4-méthyl-1-pipérazinyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-bromo-6-(4-methyl-1-piperazinyl)- [ACD/Index Name]
2-Bromo-6-(4-methylpiperazin-1-yl)benzonitrile
MFCD11037777
OT-2047

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 411.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.4±3.0 kJ/mol
    Flash Point: 202.8±28.7 °C
    Index of Refraction: 1.636
    Molar Refractivity: 67.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.17
    ACD/LogD (pH 5.5): 0.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.01
    ACD/LogD (pH 7.4): 1.86
    ACD/BCF (pH 7.4): 13.48
    ACD/KOC (pH 7.4): 192.48
    Polar Surface Area: 30 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 59.5±5.0 dyne/cm
    Molar Volume: 189.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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