Found 1 result

Search term: XSXGFTNDJKQNSK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-[(E)-{[(1R)-1-Phenylethyl]imino}methyl]-1,3-benzodioxol-4-ol | C16H15NO3

5-[(E)-{[(1R)-1-Phenylethyl]imino}methyl]-1,3-benzodioxol-4-ol

  • Molecular FormulaC16H15NO3
  • Average mass269.295 Da
  • Monoisotopic mass269.105194 Da
  • ChemSpider ID29785522

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Benzodioxol-4-ol, 5-[(E)-[[(1R)-1-phenylethyl]imino]methyl]- [ACD/Index Name]
5-[(E)-{[(1R)-1-Phenylethyl]imino}methyl]-1,3-benzodioxol-4-ol [German] [ACD/IUPAC Name]
5-[(E)-{[(1R)-1-Phenylethyl]imino}methyl]-1,3-benzodioxol-4-ol [ACD/IUPAC Name]
5-[(E)-{[(1R)-1-Phényléthyl]imino}méthyl]-1,3-benzodioxol-4-ol [French] [ACD/IUPAC Name]
(R,E)-5-(((1-phenylethyl)imino)methyl)benzo[d][1,3]dioxol-4-ol
Benzoic acid, 4-(aminomethyl)- (9CI) [ACD/Index Name]
MFCD30178019

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 400.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.6±3.0 kJ/mol
    Flash Point: 195.8±28.7 °C
    Index of Refraction: 1.603
    Molar Refractivity: 75.1±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.93
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 28.53
    ACD/KOC (pH 5.5): 268.36
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 34.88
    ACD/KOC (pH 7.4): 328.05
    Polar Surface Area: 51 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 44.2±7.0 dyne/cm
    Molar Volume: 218.8±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement