ChemSpider 2D Image | N-Benzyl-6-chloro-N-methyl-4-pyrimidinamine | C12H12ClN3

N-Benzyl-6-chloro-N-methyl-4-pyrimidinamine

  • Molecular FormulaC12H12ClN3
  • Average mass233.697 Da
  • Monoisotopic mass233.071976 Da
  • ChemSpider ID25075483

More details:

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

1220029-16-2 [RN]
4-Pyrimidinamine, 6-chloro-N-methyl-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-6-chlor-N-methyl-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-Benzyl-6-chloro-N-methyl-4-pyrimidinamine [ACD/IUPAC Name]
N-Benzyl-6-chloro-N-méthyl-4-pyrimidinamine [French] [ACD/IUPAC Name]
N-benzyl-6-chloro-N-methylpyrimidin-4-amine
[1220029-16-2] [RN]
MFCD13561826 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 393.5±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.3±3.0 kJ/mol
    Flash Point: 191.8±25.1 °C
    Index of Refraction: 1.627
    Molar Refractivity: 66.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.63
    ACD/LogD (pH 5.5): 3.32
    ACD/BCF (pH 5.5): 197.50
    ACD/KOC (pH 5.5): 1529.14
    ACD/LogD (pH 7.4): 3.33
    ACD/BCF (pH 7.4): 198.02
    ACD/KOC (pH 7.4): 1533.17
    Polar Surface Area: 29 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 186.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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