ChemSpider 2D Image | 1-(3-Sulfanylpropanoyl)-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid | C13H15NO3S

1-(3-Sulfanylpropanoyl)-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid

  • Molecular FormulaC13H15NO3S
  • Average mass265.328 Da
  • Monoisotopic mass265.077271 Da
  • ChemSpider ID15035498

More details:

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

1-(3-Sulfanylpropanoyl)-1,2,3,4-tetrahydro-2-chinolincarbonsäure [German] [ACD/IUPAC Name]
1-(3-Sulfanylpropanoyl)-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid [ACD/IUPAC Name]
1-(3-sulfanylpropanoyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
2-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-(3-mercapto-1-oxopropyl)- [ACD/Index Name]
Acide 1-(3-sulfanylpropanoyl)-1,2,3,4-tétrahydro-2-quinoléinecarboxylique [French] [ACD/IUPAC Name]
1-(3-Mercapto-propionyl)-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid
Dicyclohexyl amine salt

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.3±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.28
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 201.4±3.0 cm3

Click to predict properties on the Chemicalize site


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