ChemSpider 2D Image | Ethyl 3-amino-4-({2-[(cyclopentylcarbamoyl)amino]ethyl}amino)benzoate | C17H26N4O3

Ethyl 3-amino-4-({2-[(cyclopentylcarbamoyl)amino]ethyl}amino)benzoate

  • Molecular FormulaC17H26N4O3
  • Average mass334.413 Da
  • Monoisotopic mass334.200500 Da
  • ChemSpider ID27444860

More details:

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

3-Amino-4-({2-[(cyclopentylcarbamoyl)amino]éthyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-amino-4-[[2-[[(cyclopentylamino)carbonyl]amino]ethyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 3-amino-4-({2-[(cyclopentylcarbamoyl)amino]ethyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-3-amino-4-({2-[(cyclopentylcarbamoyl)amino]ethyl}amino)benzoat [German] [ACD/IUPAC Name]
1242962-24-8 [RN]
benzoic acid, 3-amino-4-[[2-[[(cyclopentylamino)carbonyl]amino]ethyl]amino], ethyl ester
ethyl 3-amino-4-[(2-{[(cyclopentylamino)carbonyl]amino}ethyl)amino]benzoate
Ethyl 3-amino-4-[(2-{[(cyclopentylamino)-carbonyl]amino}ethyl)amino]benzoate
ethyl 3-amino-4-[2-(cyclopentylcarbamoylamino)ethylamino]benzoate
MFCD15732370 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 616.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.4±3.0 kJ/mol
    Flash Point: 326.4±31.5 °C
    Index of Refraction: 1.578
    Molar Refractivity: 92.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 2.11
    ACD/LogD (pH 5.5): 1.91
    ACD/BCF (pH 5.5): 16.54
    ACD/KOC (pH 5.5): 255.14
    ACD/LogD (pH 7.4): 1.94
    ACD/BCF (pH 7.4): 17.50
    ACD/KOC (pH 7.4): 269.92
    Polar Surface Area: 105 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 54.3±5.0 dyne/cm
    Molar Volume: 277.9±5.0 cm3

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