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Search term: UKUMWXFJVPUQDS-ZDUSSCGKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-3-phenylurea | C14H19N3O

1-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-3-phenylurea

  • Molecular FormulaC14H19N3O
  • Average mass245.320 Da
  • Monoisotopic mass245.152817 Da
  • ChemSpider ID26365148

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-3-phenylharnstoff [German] [ACD/IUPAC Name]
1-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-3-phenylurea [ACD/IUPAC Name]
1-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-3-phénylurée [French] [ACD/IUPAC Name]
Urea, N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-N'-phenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 370.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 177.8±25.7 °C
Index of Refraction: 1.612
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 44 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 204.1±5.0 cm3

Click to predict properties on the Chemicalize site


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