ChemSpider 2D Image | 5-{[(2R,6S)-2,6-Dimethyl-1-piperidinyl]methyl}-2-thiophenecarboxylic acid | C13H19NO2S

5-{[(2R,6S)-2,6-Dimethyl-1-piperidinyl]methyl}-2-thiophenecarboxylic acid

  • Molecular FormulaC13H19NO2S
  • Average mass253.361 Da
  • Monoisotopic mass253.113647 Da
  • ChemSpider ID50738548

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Thiophenecarboxylic acid, 5-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]- [ACD/Index Name]
5-{[(2R,6S)-2,6-Dimethyl-1-piperidinyl]methyl}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-{[(2R,6S)-2,6-Dimethyl-1-piperidinyl]methyl}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-{[(2R,6S)-2,6-diméthyl-1-pipéridinyl]méthyl}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 376.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 181.4±25.1 °C
Index of Refraction: 1.561
Molar Refractivity: 70.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.18
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.19
Polar Surface Area: 69 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 217.8±3.0 cm3

Click to predict properties on the Chemicalize site


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