ChemSpider 2D Image | 3-Bromo-4-[(diethylamino)methyl]benzoic acid | C12H16BrNO2

3-Bromo-4-[(diethylamino)methyl]benzoic acid

  • Molecular FormulaC12H16BrNO2
  • Average mass286.165 Da
  • Monoisotopic mass285.036438 Da
  • ChemSpider ID23960226

More details:

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

1131594-28-9 [RN]
3-Brom-4-[(diethylamino)methyl]benzoesäure [German] [ACD/IUPAC Name]
3-Bromo-4-[(diethylamino)methyl]benzoic acid [ACD/IUPAC Name]
Acide 3-bromo-4-[(diéthylamino)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-[(diethylamino)methyl]- [ACD/Index Name]
3-bromanyl-4-(diethylaminomethyl)benzoic acid
3-bromo-4-((diethylamino)methyl)benzoic acid
3-bromo-4-((diethylamino)methyl)benzoicacid
3-bromo-4-(diethylaminomethyl)benzoic acid
4-[(diethylamino)methyl]-3-bromobenzoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 361.1±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.0±3.0 kJ/mol
    Flash Point: 172.2±26.5 °C
    Index of Refraction: 1.569
    Molar Refractivity: 68.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.53
    ACD/LogD (pH 5.5): 0.67
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.98
    ACD/LogD (pH 7.4): 0.67
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.00
    Polar Surface Area: 41 Å2
    Polarizability: 27.0±0.5 10-24cm3
    Surface Tension: 46.2±3.0 dyne/cm
    Molar Volume: 207.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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