Found 2 results

Search term: BFRIZLGWEJHUQF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{[trans-1-(Cyclohexylmethyl)-4-(2-methyl-2-propanyl)cyclohexyl]oxy}-N,N-dimethylethanamine | C21H41NO

2-{[trans-1-(Cyclohexylmethyl)-4-(2-methyl-2-propanyl)cyclohexyl]oxy}-N,N-dimethylethanamine

  • Molecular FormulaC21H41NO
  • Average mass323.556 Da
  • Monoisotopic mass323.318817 Da
  • ChemSpider ID30845617

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{[trans-1-(Cyclohexylmethyl)-4-(2-methyl-2-propanyl)cyclohexyl]oxy}-N,N-dimethylethanamin [German] [ACD/IUPAC Name]
2-{[trans-1-(Cyclohexylmethyl)-4-(2-methyl-2-propanyl)cyclohexyl]oxy}-N,N-dimethylethanamine [ACD/IUPAC Name]
2-{[trans-1-(Cyclohexylméthyl)-4-(2-méthyl-2-propanyl)cyclohexyl]oxy}-N,N-diméthyléthanamine [French] [ACD/IUPAC Name]
Ethanamine, 2-[[trans-1-(cyclohexylmethyl)-4-(1,1-dimethylethyl)cyclohexyl]oxy]-N,N-dimethyl- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 396.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 116.7±22.7 °C
Index of Refraction: 1.486
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 25.73
ACD/KOC (pH 5.5): 53.26
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 738.55
ACD/KOC (pH 7.4): 1528.82
Polar Surface Area: 12 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 34.1±5.0 dyne/cm
Molar Volume: 350.8±5.0 cm3

Click to predict properties on the Chemicalize site


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