ChemSpider 2D Image | 4-{1-[(2-Aminoethyl)disulfanyl]ethyl}benzoic acid | C11H15NO2S2

4-{1-[(2-Aminoethyl)disulfanyl]ethyl}benzoic acid

  • Molecular FormulaC11H15NO2S2
  • Average mass257.372 Da
  • Monoisotopic mass257.054413 Da
  • ChemSpider ID58802504

More details:

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

2007919-51-7 [RN]
4-{1-[(2-Aminoethyl)disulfanyl]ethyl}benzoesäure [German] [ACD/IUPAC Name]
4-{1-[(2-Aminoethyl)disulfanyl]ethyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{1-[(2-aminoéthyl)disulfanyl]éthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-[(2-aminoethyl)dithio]ethyl]- [ACD/Index Name]
4-(1-((2-AMINOETHYL)DISULFANYL)ETHYL)BENZOIC ACID
MFCD30471894

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 423.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.4±3.0 kJ/mol
    Flash Point: 209.7±27.3 °C
    Index of Refraction: 1.633
    Molar Refractivity: 71.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.00
    ACD/LogD (pH 5.5): 0.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.57
    ACD/LogD (pH 7.4): 0.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.55
    Polar Surface Area: 114 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 58.9±3.0 dyne/cm
    Molar Volume: 200.2±3.0 cm3

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