ChemSpider 2D Image | N,N-Diethyl-2-{[(1S,2R)-2-phenylcyclohexyl]oxy}ethanamine | C18H29NO

N,N-Diethyl-2-{[(1S,2R)-2-phenylcyclohexyl]oxy}ethanamine

  • Molecular FormulaC18H29NO
  • Average mass275.429 Da
  • Monoisotopic mass275.224915 Da
  • ChemSpider ID28527519
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Ethanamine, N,N-diethyl-2-[[(1S,2R)-2-phenylcyclohexyl]oxy]- [ACD/Index Name]
N,N-Diethyl-2-{[(1S,2R)-2-phenylcyclohexyl]oxy}ethanamin [German] [ACD/IUPAC Name]
N,N-Diethyl-2-{[(1S,2R)-2-phenylcyclohexyl]oxy}ethanamine [ACD/IUPAC Name]
N,N-Diéthyl-2-{[(1S,2R)-2-phénylcyclohexyl]oxy}éthanamine [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 376.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 111.0±28.3 °C
Index of Refraction: 1.521
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.60
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 4.27
ACD/KOC (pH 7.4): 22.06
Polar Surface Area: 12 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 37.5±5.0 dyne/cm
Molar Volume: 281.9±5.0 cm3

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