ChemSpider 2D Image | Ethyl 4-(1-methyl-5-nitro-1H-benzimidazol-2-yl)butanoate | C14H17N3O4

Ethyl 4-(1-methyl-5-nitro-1H-benzimidazol-2-yl)butanoate

  • Molecular FormulaC14H17N3O4
  • Average mass291.302 Da
  • Monoisotopic mass291.121918 Da
  • ChemSpider ID21896819

More details:

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

1H-Benzimidazole-2-butanoic acid, 1-methyl-5-nitro-, ethyl ester [ACD/Index Name]
4-(1-Méthyl-5-nitro-1H-benzimidazol-2-yl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(1-methyl-5-nitro-1H-benzimidazol-2-yl)butanoate [ACD/IUPAC Name]
Ethyl-4-(1-methyl-5-nitro-1H-benzimidazol-2-yl)butanoat [German] [ACD/IUPAC Name]
[3543-72-4] [RN]
1286893-94-4 [RN]
1-Methyl-5-nitro-1H-benzimidazole-2-butanoic Acid Ethyl Ester
1-Methyl-5-nitro-1H-benzimidazole-2-butanoic Acid Ethyl Ester-d3
2-Benzimidazolebutyric acid, 1-methyl-5-nitro-, ethyl ester
3-[1-(benzyloxymethyl)imidazol-4-yl]-2-(tert-butoxycarbonylamino)propanoic acid;Boc-His(Boc)-OH
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 481.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.6±3.0 kJ/mol
    Flash Point: 244.7±23.2 °C
    Index of Refraction: 1.599
    Molar Refractivity: 76.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.73
    ACD/LogD (pH 5.5): 2.65
    ACD/BCF (pH 5.5): 60.46
    ACD/KOC (pH 5.5): 652.33
    ACD/LogD (pH 7.4): 2.66
    ACD/BCF (pH 7.4): 61.58
    ACD/KOC (pH 7.4): 664.46
    Polar Surface Area: 90 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 49.7±7.0 dyne/cm
    Molar Volume: 223.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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