ChemSpider 2D Image | N,N-Dimethyl-2-{[(1S,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy}ethanamine | C20H31NO

N,N-Dimethyl-2-{[(1S,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy}ethanamine

  • Molecular FormulaC20H31NO
  • Average mass301.466 Da
  • Monoisotopic mass301.240570 Da
  • ChemSpider ID28426180

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Ethanamine, N,N-dimethyl-2-[[(1S,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]- [ACD/Index Name]
N,N-Dimethyl-2-{[(1S,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy}ethanamin [German] [ACD/IUPAC Name]
N,N-Dimethyl-2-{[(1S,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy}ethanamine [ACD/IUPAC Name]
N,N-Diméthyl-2-{[(1S,2S,4R)-1,7,7-triméthyl-2-phénylbicyclo[2.2.1]hept-2-yl]oxy}éthanamine [French] [ACD/IUPAC Name]
120444-71-5 [RN]
80178-56-9 [RN]
Deramciclane [INN] [Wiki]
MFCD17677052
N,N-Dimethyl-2-(((1S,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-yl)oxy)ethanamine
N,N-dimethyl-2-((1S,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-yloxy)ethanamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 375.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 110.6±25.5 °C
Index of Refraction: 1.541
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.20
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 28.66
ACD/KOC (pH 7.4): 149.39
Polar Surface Area: 12 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 38.8±5.0 dyne/cm
Molar Volume: 296.2±5.0 cm3

Click to predict properties on the Chemicalize site


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