ChemSpider 2D Image | Methyl 3-{[2-(2-piperidinyl)ethyl]sulfanyl}propanoate | C11H21NO2S

Methyl 3-{[2-(2-piperidinyl)ethyl]sulfanyl}propanoate

  • Molecular FormulaC11H21NO2S
  • Average mass231.355 Da
  • Monoisotopic mass231.129303 Da
  • ChemSpider ID30995538

More details:

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

3-{[2-(2-Pipéridinyl)éthyl]sulfanyl}propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[2-(2-piperidinyl)ethyl]sulfanyl}propanoate [ACD/IUPAC Name]
Methyl-3-{[2-(2-piperidinyl)ethyl]sulfanyl}propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[[2-(2-piperidinyl)ethyl]thio]-, methyl ester [ACD/Index Name]
1249886-86-9 [RN]
Methyl 3-([2-(piperidin-2-yl)ethyl]sulfanyl)propanoate
methyl 3-{[2-(piperidin-2-yl)ethyl]sulfanyl}propanoate
MFCD16076249

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

Density: 1.0±0.1 g/cm3
Boiling Point: 339.9±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.3±3.0 kJ/mol
Flash Point: 159.4±20.9 °C
Index of Refraction: 1.485
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 64 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

Click to predict properties on the Chemicalize site


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