ChemSpider 2D Image | 3-Allyl-1-[3-(methylsulfanyl)propyl]-3-piperidinecarboxylic acid | C13H23NO2S

3-Allyl-1-[3-(methylsulfanyl)propyl]-3-piperidinecarboxylic acid

  • Molecular FormulaC13H23NO2S
  • Average mass257.392 Da
  • Monoisotopic mass257.144958 Da
  • ChemSpider ID29675522

More details:

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

3-Allyl-1-[3-(methylsulfanyl)propyl]-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
3-Allyl-1-[3-(methylsulfanyl)propyl]-3-piperidinecarboxylic acid [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[3-(methylthio)propyl]-3-(2-propen-1-yl)- [ACD/Index Name]
Acide 3-allyl-1-[3-(méthylsulfanyl)propyl]-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1-[3-(METHYLSULFANYL)PROPYL]-3-(PROP-2-EN-1-YL)PIPERIDINE-3-CARBOXYLIC ACID
3-allyl-1-[3-(methylthio)propyl]-3-piperidinecarboxylic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 391.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.4±6.0 kJ/mol
Flash Point: 190.7±26.5 °C
Index of Refraction: 1.515
Molar Refractivity: 72.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.30
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.31
Polar Surface Area: 66 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 241.9±3.0 cm3

Click to predict properties on the Chemicalize site


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