ChemSpider 2D Image | 1-Benzyl-4-(2-thienyl)-3-pyrrolidinecarboxylic acid | C16H17NO2S

1-Benzyl-4-(2-thienyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC16H17NO2S
  • Average mass287.377 Da
  • Monoisotopic mass287.097992 Da
  • ChemSpider ID21108437

More details:

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

1-Benzyl-4-(2-thienyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1-Benzyl-4-(2-thienyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
1-Benzyl-4-thiophen-2-yl-pyrrolidine-3-carboxylic acid
3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-4-(2-thienyl)- [ACD/Index Name]
879686-81-4 [RN]
Acide 1-benzyl-4-(2-thiényl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
1-(Benzyl)-4-(thiophen-2-yl)pyrrolidine-3-carboxylic acid; 1-Benzyl-4-thiophen-2-yl-1H-pyrrolidin-3-carboxylic acid
1-Benzyl-4-(thiophen-2-yl)pyrrolidine-3-carboxylic acid
1-benzyl-4-thiophen-2-ylpyrrolidine-3-carboxylic acid
1-Benzyl-4-thiophen-2-yl-pyrrolidine-3-carboxylicacid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 457.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.6±3.0 kJ/mol
    Flash Point: 230.4±28.7 °C
    Index of Refraction: 1.634
    Molar Refractivity: 80.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.74
    ACD/LogD (pH 5.5): 0.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.67
    ACD/LogD (pH 7.4): 0.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.17
    Polar Surface Area: 69 Å2
    Polarizability: 31.8±0.5 10-24cm3
    Surface Tension: 57.8±3.0 dyne/cm
    Molar Volume: 224.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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