ChemSpider 2D Image | 1-Cyclohexyl-4-{ethyl[(2R)-1-(4-methoxyphenyl)-2-propanyl]amino}-1-butanone | C22H35NO2

1-Cyclohexyl-4-{ethyl[(2R)-1-(4-methoxyphenyl)-2-propanyl]amino}-1-butanone

  • Molecular FormulaC22H35NO2
  • Average mass345.519 Da
  • Monoisotopic mass345.266785 Da
  • ChemSpider ID34984988

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Butanone, 1-cyclohexyl-4-[ethyl[(1R)-2-(4-methoxyphenyl)-1-methylethyl]amino]- [ACD/Index Name]
1-Cyclohexyl-4-{ethyl[(2R)-1-(4-methoxyphenyl)-2-propanyl]amino}-1-butanon [German] [ACD/IUPAC Name]
1-Cyclohexyl-4-{ethyl[(2R)-1-(4-methoxyphenyl)-2-propanyl]amino}-1-butanone [ACD/IUPAC Name]
1-Cyclohexyl-4-{éthyl[(2R)-1-(4-méthoxyphényl)-2-propanyl]amino}-1-butanone [French] [ACD/IUPAC Name]
57558-44-8 [RN]
secoverine [INN]
UNII-512WJG3I0O

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

Density: 1.0±0.1 g/cm3
Boiling Point: 471.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.1±25.9 °C
Index of Refraction: 1.515
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 7.91
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 25.02
ACD/KOC (pH 7.4): 98.15
Polar Surface Area: 30 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 345.6±3.0 cm3

Click to predict properties on the Chemicalize site


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