ChemSpider 2D Image | Deramciclane | C21H33N

Deramciclane

  • Molecular FormulaC21H33N
  • Average mass299.493 Da
  • Monoisotopic mass299.261292 Da
  • ChemSpider ID23498865
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

120444-71-5 [RN]
Bicyclo[2.2.1]heptane-2-propanamine, N,N,1,7,7-pentamethyl-2-phenyl-, (1R,2R,4R)- [ACD/Index Name]
Deramciclane [INN] [Wiki]
EGIS-3886
N,N-Dimethyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]-1-propanamin [German] [ACD/IUPAC Name]
N,N-Dimethyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]-1-propanamine [ACD/IUPAC Name]
N,N-Diméthyl-3-[(1R,2R,4R)-1,7,7-triméthyl-2-phénylbicyclo[2.2.1]hept-2-yl]-1-propanamine [French] [ACD/IUPAC Name]
N,N-Dimethyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]propan-1-amine
MFCD00865305 [MDL number]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 367.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 158.4±16.2 °C
Index of Refraction: 1.518
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 6.01
ACD/KOC (pH 5.5): 16.85
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 36.89
ACD/KOC (pH 7.4): 103.39
Polar Surface Area: 3 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 315.3±3.0 cm3

Click to predict properties on the Chemicalize site


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