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Search term: HFRKHTCPWUOGHM (Found by InChIKey (skeleton match))

ChemSpider 2D Image | THIAFENTANIL | C22H28N2O4S


  • Molecular FormulaC22H28N2O4S
  • Average mass416.534 Da
  • Monoisotopic mass416.176971 Da
  • ChemSpider ID58828132

More details:

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

101345-60-2 [RN]
4-[(2-Méthoxyacétyl)(phényl)amino]-1-[2-(2-thiényl)éthyl]-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 4-[(2-methoxyacetyl)phenylamino]-1-[2-(2-thienyl)ethyl]-, methyl ester [ACD/Index Name]
Methyl 4-[(2-methoxyacetyl)phenylamino]-1-[2-(2-thienyl)ethyl]-4-piperidinecarboxylate
Methyl 4-[(methoxyacetyl)(phenyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-4-[(methoxyacetyl)(phenyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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


Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 517.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 266.9±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 6.60
ACD/KOC (pH 5.5): 56.59
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 110.07
ACD/KOC (pH 7.4): 944.08
Polar Surface Area: 87 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 341.3±3.0 cm3

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