ChemSpider 2D Image | Ethyl (2E)-2-({[4-(N-hydroxycarbamimidoyl)-1,2,5-oxadiazol-3-yl]amino}methylene)-3-oxobutanoate | C10H13N5O5

Ethyl (2E)-2-({[4-(N-hydroxycarbamimidoyl)-1,2,5-oxadiazol-3-yl]amino}methylene)-3-oxobutanoate

  • Molecular FormulaC10H13N5O5
  • Average mass283.241 Da
  • Monoisotopic mass283.091675 Da
  • ChemSpider ID22857826

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-({[4-(N-Hydroxycarbamimidoyl)-1,2,5-oxadiazol-3-yl]amino}méthylène)-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[[4-[(E)-(hydroxyamino)iminomethyl]-1,2,5-oxadiazol-3-yl]amino]methylene]-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Butanoic acid, 2-[[[4-[(E)-amino(hydroxyimino)methyl]-1,2,5-oxadiazol-3-yl]amino]methylene]-3-oxo-, ethyl ester, (2E)-
Ethyl (2E)-2-({[4-(N'-hydroxycarbamimidoyl)-1,2,5-oxadiazol-3-yl]amino}methylene)-3-oxobutanoate
Ethyl (2E)-2-({[4-(N-hydroxycarbamimidoyl)-1,2,5-oxadiazol-3-yl]amino}methylene)-3-oxobutanoate [ACD/IUPAC Name]
Ethyl-(2E)-2-({[4-(N-hydroxycarbamimidoyl)-1,2,5-oxadiazol-3-yl]amino}methylen)-3-oxobutanoat [German] [ACD/IUPAC Name]
(2E)-ethyl 2-(((4-(N'-hydroxycarbamimidoyl)-1,2,5-oxadiazol-3(2H)-ylidene)amino)methylene)-3-oxobutanoate
333771-60-1 [RN]
ethyl (2E)-2-({[4-(N'-hydroxycarbamimidoyl)-1,2,5-oxadiazol-3-yl]amino}methylidene)-3-oxobutanoate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 496.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.5±3.0 kJ/mol
    Flash Point: 253.9±31.5 °C
    Index of Refraction: 1.627
    Molar Refractivity: 65.2±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 1.47
    ACD/LogD (pH 5.5): 0.40
    ACD/BCF (pH 5.5): 1.19
    ACD/KOC (pH 5.5): 39.44
    ACD/LogD (pH 7.4): 0.40
    ACD/BCF (pH 7.4): 1.19
    ACD/KOC (pH 7.4): 39.44
    Polar Surface Area: 153 Å2
    Polarizability: 25.8±0.5 10-24cm3
    Surface Tension: 60.2±7.0 dyne/cm
    Molar Volume: 183.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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