ChemSpider 2D Image | 3-[(1R,2R)-2-({Bis[(~2~H_3_)methyl]amino}methyl)-1-hydroxycyclohexyl]phenol | C15H17D6NO2

3-[(1R,2R)-2-({Bis[(2H3)methyl]amino}methyl)-1-hydroxycyclohexyl]phenol

  • Molecular FormulaC15H17D6NO2
  • Average mass255.386 Da
  • Monoisotopic mass255.210541 Da
  • ChemSpider ID23265994

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3-[(1R,2R)-2-({Bis[(2H3)methyl]amino}methyl)-1-hydroxycyclohexyl]phenol [ACD/IUPAC Name]
3-[(1R,2R)-2-({Bis[(2H3)methyl]amino}methyl)-1-hydroxycyclohexyl]phenol [German] [ACD/IUPAC Name]
3-[(1R,2R)-2-({Bis[(2H3)méthyl]amino}méthyl)-1-hydroxycyclohexyl]phénol [French] [ACD/IUPAC Name]
Phenol, 3-[(1R,2R)-2-[(dimethyl-d3-amino)methyl]-1-hydroxycyclohexyl]- [ACD/Index Name]
3-[(1R,2R)-2-[[bis(trideuteriomethyl)amino]methyl]-1-hydroxycyclohexyl]phenol
873928-73-5 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 403.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.0±3.0 kJ/mol
    Flash Point: 201.2±21.8 °C
    Index of Refraction: 1.561
    Molar Refractivity: 73.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): -0.95
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.10
    Polar Surface Area: 44 Å2
    Polarizability: 29.0±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 225.8±3.0 cm3

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