ChemSpider 2D Image | TERT-BUTYL 3-[5-(2-AMINOETHYL)THIOPHEN-3-YL]PROPANOATE | C13H21NO2S

TERT-BUTYL 3-[5-(2-AMINOETHYL)THIOPHEN-3-YL]PROPANOATE

  • Molecular FormulaC13H21NO2S
  • Average mass255.376 Da
  • Monoisotopic mass255.129303 Da
  • ChemSpider ID28290583

More details:

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

1,1-Dimethylethyl 5-(2-aminoethyl)-3-thiophenepropanoate
124499-24-7 [RN]
2-Methyl-2-propanyl 3-[5-(2-aminoethyl)-3-thienyl]propanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[5-(2-aminoethyl)-3-thienyl]propanoat [German] [ACD/IUPAC Name]
3-[5-(2-Aminoéthyl)-3-thiényl]propanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3-Thiophenepropanoic acid, 5-(2-aminoethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
TERT-BUTYL 3-[5-(2-AMINOETHYL)THIOPHEN-3-YL]PROPANOATE
TERT-BUTYL 3-[5-(2-AMINO-ETHYL)-THIOPHEN-3-YL]-PROPIONATE
[124499-24-7] [RN]
2-Hydroxypyridine-N-oxide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 348.0±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.2±3.0 kJ/mol
    Flash Point: 164.3±25.1 °C
    Index of Refraction: 1.528
    Molar Refractivity: 72.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): -0.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.37
    Polar Surface Area: 81 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 40.6±3.0 dyne/cm
    Molar Volume: 234.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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