ChemSpider 2D Image | N-benzyl-9-(2-bromoethyl)-9H-purin-6-amine | C14H14BrN5

N-benzyl-9-(2-bromoethyl)-9H-purin-6-amine

  • Molecular FormulaC14H14BrN5
  • Average mass332.198 Da
  • Monoisotopic mass331.043243 Da
  • ChemSpider ID23080792

More details:

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

9H-purin-6-amine, 9-(2-bromoethyl)-N-(phenylmethyl)-
N-benzyl-9-(2-bromoethyl)-9H-purin-6-amine
[9-(2-bromoethyl)purin-6-yl]benzylamine
120593-27-3 [RN]
MFCD07626526
N-benzyl-9-(2-bromoethyl)purin-6-amine

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 506.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.6±3.0 kJ/mol
    Flash Point: 260.2±32.9 °C
    Index of Refraction: 1.702
    Molar Refractivity: 83.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 3.34
    ACD/BCF (pH 5.5): 203.41
    ACD/KOC (pH 5.5): 1553.81
    ACD/LogD (pH 7.4): 3.35
    ACD/BCF (pH 7.4): 207.59
    ACD/KOC (pH 7.4): 1585.75
    Polar Surface Area: 56 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 56.0±7.0 dyne/cm
    Molar Volume: 214.7±7.0 cm3

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