ChemSpider 2D Image | MFCD03092471 | C17H19N3O2

MFCD03092471

  • Molecular FormulaC17H19N3O2
  • Average mass297.352 Da
  • Monoisotopic mass297.147736 Da
  • ChemSpider ID21493620

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenediol, 4-[(E)-[(4-phenyl-1-piperazinyl)imino]methyl]- [ACD/Index Name]
306953-58-2 [RN]
4-(((4-Phenylpiperazin-1-yl)imino)methyl)benzene-1,3-diol
4-{(E)-[(4-Phenyl-1-piperazinyl)imino]methyl}-1,3-benzenediol [ACD/IUPAC Name]
4-{(E)-[(4-Phényl-1-pipérazinyl)imino]méthyl}-1,3-benzènediol [French] [ACD/IUPAC Name]
4-{(E)-[(4-Phenyl-1-piperazinyl)imino]methyl}-1,3-benzoldiol [German] [ACD/IUPAC Name]
MFCD03092471
(E)-4-(((4-phenylpiperazin-1-yl)imino)methyl)benzene-1,3-diol
1685252-72-5 [RN]
4-(((4-PHENYL-1-PIPERAZINYL)IMINO)METHYL)-1,3-BENZENEDIOL
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 547.1±39.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.7±3.0 kJ/mol
    Flash Point: 284.7±27.1 °C
    Index of Refraction: 1.630
    Molar Refractivity: 85.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): 1.54
    ACD/BCF (pH 5.5): 5.27
    ACD/KOC (pH 5.5): 62.74
    ACD/LogD (pH 7.4): 2.38
    ACD/BCF (pH 7.4): 36.51
    ACD/KOC (pH 7.4): 434.43
    Polar Surface Area: 59 Å2
    Polarizability: 34.1±0.5 10-24cm3
    Surface Tension: 51.0±7.0 dyne/cm
    Molar Volume: 241.6±7.0 cm3

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