ChemSpider 2D Image | 2-Methyl-2-propanyl 4-({[2-(dimethylamino)ethyl](1,1-dioxidotetrahydro-3-thiophenyl)carbamoyl}oxy)-1-piperidinecarboxylate | C19H35N3O6S

2-Methyl-2-propanyl 4-({[2-(dimethylamino)ethyl](1,1-dioxidotetrahydro-3-thiophenyl)carbamoyl}oxy)-1-piperidinecarboxylate

  • Molecular FormulaC19H35N3O6S
  • Average mass433.563 Da
  • Monoisotopic mass433.224670 Da
  • ChemSpider ID60396259

More details:

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

1-Piperidinecarboxylic acid, 4-[[[[2-(dimethylamino)ethyl](tetrahydro-1,1-dioxido-3-thienyl)amino]carbonyl]oxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-({[2-(dimethylamino)ethyl](1,1-dioxidotetrahydro-3-thiophenyl)carbamoyl}oxy)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-({[2-(dimethylamino)ethyl](1,1-dioxidotetrahydro-3-thiophenyl)carbamoyl}oxy)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-({[2-(Diméthylamino)éthyl](1,1-dioxydotétrahydro-3-thiophényl)carbamoyl}oxy)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [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: 572.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.8±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.04
Polar Surface Area: 105 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 349.6±5.0 cm3

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