ChemSpider 2D Image | 4-[(Butylamino)methyl]-2,6-dimethoxyphenol | C13H21NO3

4-[(Butylamino)methyl]-2,6-dimethoxyphenol

  • Molecular FormulaC13H21NO3
  • Average mass239.311 Da
  • Monoisotopic mass239.152145 Da
  • ChemSpider ID24036714

More details:

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

112520-77-1 [RN]
4-[(Butylamino)methyl]-2,6-dimethoxyphenol [German] [ACD/IUPAC Name]
4-[(Butylamino)methyl]-2,6-dimethoxyphenol [ACD/IUPAC Name]
4-[(Butylamino)méthyl]-2,6-diméthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 4-[(butylamino)methyl]-2,6-dimethoxy- [ACD/Index Name]
4-(butylaminomethyl)-2,6-dimethoxyphenol
atoms 17 bonds 17
MFCD11157770

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 356.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.6±3.0 kJ/mol
    Flash Point: 169.6±26.5 °C
    Index of Refraction: 1.516
    Molar Refractivity: 68.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.67
    ACD/LogD (pH 5.5): -1.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.47
    Polar Surface Area: 51 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 36.9±3.0 dyne/cm
    Molar Volume: 227.0±3.0 cm3

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