ChemSpider 2D Image | 1-[(3s,5s,7s)-Adamantan-1-yl]-2-(1H-imidazol-1-yl)ethanone | C15H20N2O

1-[(3s,5s,7s)-Adamantan-1-yl]-2-(1H-imidazol-1-yl)ethanone

  • Molecular FormulaC15H20N2O
  • Average mass244.332 Da
  • Monoisotopic mass244.157562 Da
  • ChemSpider ID26326081
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-[(3s,5s,7s)-Adamantan-1-yl]-2-(1H-imidazol-1-yl)ethanon [German] [ACD/IUPAC Name]
1-[(3s,5s,7s)-Adamantan-1-yl]-2-(1H-imidazol-1-yl)ethanone [ACD/IUPAC Name]
1-[(3s,5s,7s)-Adamantan-1-yl]-2-(1H-imidazol-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(1H-imidazol-1-yl)-1-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethan-1-one
1-(adamantan-1-yl)-2-(imidazol-1-yl)ethanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 421.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.7±24.0 °C
Index of Refraction: 1.713
Molar Refractivity: 69.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 8.35
ACD/KOC (pH 5.5): 94.86
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.16
ACD/KOC (pH 7.4): 547.26
Polar Surface Area: 35 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 178.2±7.0 cm3

Click to predict properties on the Chemicalize site






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