ChemSpider 2D Image | 4-Iodo-1-(2-pyrrolidinylmethyl)-1H-pyrazole | C8H12IN3

4-Iodo-1-(2-pyrrolidinylmethyl)-1H-pyrazole

  • Molecular FormulaC8H12IN3
  • Average mass277.105 Da
  • Monoisotopic mass277.007568 Da
  • ChemSpider ID46206520

More details:






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

1H-Pyrazole, 4-iodo-1-(2-pyrrolidinylmethyl)- [ACD/Index Name]
4-Iod-1-(2-pyrrolidinylmethyl)-1H-pyrazol [German] [ACD/IUPAC Name]
4-Iodo-1-(2-pyrrolidinylmethyl)-1H-pyrazole [ACD/IUPAC Name]
4-Iodo-1-(2-pyrrolidinylméthyl)-1H-pyrazole [French] [ACD/IUPAC Name]
1339770-34-1 [RN]
1604370-71-9 [RN]
4-iodo-1-(pyrrolidin-2-ylmethyl)-1H-pyrazole
MFCD20184791

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 343.7±12.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.8±3.0 kJ/mol
    Flash Point: 161.6±19.6 °C
    Index of Refraction: 1.735
    Molar Refractivity: 57.0±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.60
    ACD/LogD (pH 5.5): -1.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.27
    Polar Surface Area: 30 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 56.8±7.0 dyne/cm
    Molar Volume: 142.1±7.0 cm3

    Click to predict properties on the Chemicalize site






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