ChemSpider 2D Image | 4-[(3-Methoxypropyl)amino]-3-nitrobenzoic acid | C11H14N2O5

4-[(3-Methoxypropyl)amino]-3-nitrobenzoic acid

  • Molecular FormulaC11H14N2O5
  • Average mass254.239 Da
  • Monoisotopic mass254.090271 Da
  • ChemSpider ID24384359

More details:

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

1051102-41-0 [RN]
4-[(3-Methoxypropyl)amino]-3-nitrobenzoesäure [German] [ACD/IUPAC Name]
4-[(3-Methoxypropyl)amino]-3-nitrobenzoic acid [ACD/IUPAC Name]
Acide 4-[(3-méthoxypropyl)amino]-3-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(3-methoxypropyl)amino]-3-nitro- [ACD/Index Name]
4-((3-methoxypropyl)amino)-3-nitrobenzoic acid
4-(3-methoxypropylamino)-3-nitrobenzoic acid
4-[(3-methoxypropyl)amino]-3-nitrobenzoicacid
MFCD11543601 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 452.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.0±3.0 kJ/mol
    Flash Point: 227.3±28.7 °C
    Index of Refraction: 1.603
    Molar Refractivity: 65.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.52
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 1.14
    ACD/KOC (pH 5.5): 14.87
    ACD/LogD (pH 7.4): -0.66
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 25.8±0.5 10-24cm3
    Surface Tension: 58.4±3.0 dyne/cm
    Molar Volume: 189.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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