ChemSpider 2D Image | 4-(Prop-1-yn-1-yl)pyrimidin-2-amine | C7H7N3

4-(Prop-1-yn-1-yl)pyrimidin-2-amine

  • Molecular FormulaC7H7N3
  • Average mass133.151 Da
  • Monoisotopic mass133.063995 Da
  • ChemSpider ID23499510

More details:

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

1207175-48-1 [RN]
4-(Prop-1-yn-1-yl)pyrimidin-2-amine
[1207175-48-1] [RN]
4-(prop-1-ynyl)pyrimidin-2-amine
4-prop-1-ynylpyrimidin-2-amine
MFCD12755764 [MDL number]

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

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 342.7±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.7±3.0 kJ/mol
    Flash Point: 187.8±12.9 °C
    Index of Refraction: 1.593
    Molar Refractivity: 37.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.68
    ACD/LogD (pH 5.5): 0.84
    ACD/BCF (pH 5.5): 2.54
    ACD/KOC (pH 5.5): 67.06
    ACD/LogD (pH 7.4): 0.86
    ACD/BCF (pH 7.4): 2.63
    ACD/KOC (pH 7.4): 69.54
    Polar Surface Area: 52 Å2
    Polarizability: 15.0±0.5 10-24cm3
    Surface Tension: 67.5±5.0 dyne/cm
    Molar Volume: 111.7±5.0 cm3

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