ChemSpider 2D Image | Ethyl 4-[5-amino-1-(~2~H_3_)methyl-1H-benzimidazol-2-yl]butanoate | C14H16D3N3O2

Ethyl 4-[5-amino-1-(2H3)methyl-1H-benzimidazol-2-yl]butanoate

  • Molecular FormulaC14H16D3N3O2
  • Average mass264.338 Da
  • Monoisotopic mass264.166565 Da
  • ChemSpider ID28595585

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Benzimidazole-2-butanoic acid, 5-amino-1-(methyl-d3)-, ethyl ester [ACD/Index Name]
4-[5-Amino-1-(2H3)méthyl-1H-benzimidazol-2-yl]butanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[5-amino-1-(2H3)methyl-1H-benzimidazol-2-yl]butanoate [ACD/IUPAC Name]
Ethyl-4-[5-amino-1-(2H3)methyl-1H-benzimidazol-2-yl]butanoat [German] [ACD/IUPAC Name]
1246819-70-4 [RN]
1-METHYL-5-AMINO-1H-BENZIMIDAZOLE-2-BUTANOIC ACID ETHYL ESTER-D3
3543-73-5 [RN]
ethyl 4-[5-amino-1-(trideuteriomethyl)benzimidazol-2-yl]butanoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 471.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.4±3.0 kJ/mol
    Flash Point: 239.0±23.2 °C
    Index of Refraction: 1.591
    Molar Refractivity: 72.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.72
    ACD/LogD (pH 5.5): 1.30
    ACD/BCF (pH 5.5): 3.89
    ACD/KOC (pH 5.5): 58.07
    ACD/LogD (pH 7.4): 1.98
    ACD/BCF (pH 7.4): 18.69
    ACD/KOC (pH 7.4): 279.04
    Polar Surface Area: 70 Å2
    Polarizability: 28.8±0.5 10-24cm3
    Surface Tension: 44.5±7.0 dyne/cm
    Molar Volume: 215.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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