ChemSpider 2D Image | 2-(1-benzhydrylazetidin-3-yl)propane-1,3-diol | C19H23NO2

2-(1-benzhydrylazetidin-3-yl)propane-1,3-diol

  • Molecular FormulaC19H23NO2
  • Average mass297.391 Da
  • Monoisotopic mass297.172882 Da
  • ChemSpider ID28467042

More details:

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

1,3-Propanediol, 2-[1-(diphenylmethyl)-3-azetidinyl]- [ACD/Index Name]
1375303-15-3 [RN]
2-(1-benzhydrylazetidin-3-yl)propane-1,3-diol
2-[1-(Diphenylmethyl)-3-azetidinyl]-1,3-propandiol [German] [ACD/IUPAC Name]
2-[1-(Diphenylmethyl)-3-azetidinyl]-1,3-propanediol [ACD/IUPAC Name]
2-[1-(Diphénylméthyl)-3-azétidinyl]-1,3-propanediol [French] [ACD/IUPAC Name]
2-[1-(Diphenylmethyl)azetidin-3-yl]propane-1,3-diol
DS-7277
MFCD22381710 [MDL number]

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

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 457.6±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.6±3.0 kJ/mol
    Flash Point: 231.5±23.2 °C
    Index of Refraction: 1.617
    Molar Refractivity: 87.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.67
    ACD/LogD (pH 5.5): 0.65
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.75
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 20.46
    ACD/KOC (pH 7.4): 267.36
    Polar Surface Area: 44 Å2
    Polarizability: 34.8±0.5 10-24cm3
    Surface Tension: 54.5±3.0 dyne/cm
    Molar Volume: 251.3±3.0 cm3

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