ChemSpider 2D Image | (1'R,7'R)-9'-Methyl-3',5',9'-triazaspiro[cyclohexane-1,4'-tricyclo[5.3.3.0~1,6~]tridecane]-5'-en-2'-one | C16H25N3O

(1'R,7'R)-9'-Methyl-3',5',9'-triazaspiro[cyclohexane-1,4'-tricyclo[5.3.3.01,6]tridecane]-5'-en-2'-one

  • Molecular FormulaC16H25N3O
  • Average mass275.389 Da
  • Monoisotopic mass275.199768 Da
  • ChemSpider ID113603760

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1'R,7'R)-9'-Methyl-3',5',9'-triazaspiro[cyclohexane-1,4'-tricyclo[5.3.3.01,6]tridecane]-5'-en-2'-one [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 479.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.5±28.7 °C
Index of Refraction: 1.691
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 22.73
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 52.95
ACD/KOC (pH 7.4): 539.68
Polar Surface Area: 45 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 203.5±7.0 cm3

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