ChemSpider 2D Image | Methyl 5-bromo-3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-2-methylbenzoate | C16H22BrNO3

Methyl 5-bromo-3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-2-methylbenzoate

  • Molecular FormulaC16H22BrNO3
  • Average mass356.255 Da
  • Monoisotopic mass355.078308 Da
  • ChemSpider ID44209236

More details:

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

5-Bromo-3-[éthyl(tétrahydro-2H-pyran-4-yl)amino]-2-méthylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-2-methyl-, methyl ester [ACD/Index Name]
Methyl 5-bromo-3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-2-methylbenzoate [ACD/IUPAC Name]
Methyl-5-brom-3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-2-methylbenzoat [German] [ACD/IUPAC Name]
1403257-79-3 [RN]
CS-14749
methyl 5-bromo-3-(ethyl(tetrahydro-2h-pyran-4-yl)amino)-2-methylbenzoate
methyl 5-bromo-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoate
MFCD28347529

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 461.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.3±3.0 kJ/mol
    Flash Point: 233.0±28.7 °C
    Index of Refraction: 1.567
    Molar Refractivity: 87.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.32
    ACD/LogD (pH 5.5): 4.27
    ACD/BCF (pH 5.5): 1031.17
    ACD/KOC (pH 5.5): 4966.90
    ACD/LogD (pH 7.4): 4.28
    ACD/BCF (pH 7.4): 1051.63
    ACD/KOC (pH 7.4): 5065.43
    Polar Surface Area: 39 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 267.8±3.0 cm3

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