ChemSpider 2D Image | 4-[2-Cyclohexyl(hydroxy)phenylacetoxy]-N,N-diethyl-4-methyl-2-pentyn-1-aminium | C24H36NO3

4-[2-Cyclohexyl(hydroxy)phenylacetoxy]-N,N-diethyl-4-methyl-2-pentyn-1-aminium

  • Molecular FormulaC24H36NO3
  • Average mass386.547 Da
  • Monoisotopic mass386.268982 Da
  • ChemSpider ID21258700

  • Charge - Charge

More details:

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

4-(2-Cyclohexyl-2-hydroxy-2-phénylacétoxy)-N,N-diéthyl-4-méthyl-2-pentyn-1-aminium [French] [ACD/IUPAC Name]
4-[2-Cyclohexyl(hydroxy)phenylacetoxy]-N,N-diethyl-4-methyl-2-pentin-1-aminium [German] [ACD/IUPAC Name]
4-[2-Cyclohexyl(hydroxy)phenylacetoxy]-N,N-diethyl-4-methyl-2-pentyn-1-aminium [ACD/IUPAC Name]
Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butyn-1-yl ester, conjugate acid [ACD/Index Name]

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

Density:
Boiling Point: 508.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 261.6±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 17.87
ACD/KOC (pH 5.5): 49.08
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 843.93
ACD/KOC (pH 7.4): 2317.56
Polar Surface Area: 51 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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