ChemSpider 2D Image | (3R)-1-Azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol | C22H27NO

(3R)-1-Azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol

  • Molecular FormulaC22H27NO
  • Average mass321.456 Da
  • Monoisotopic mass321.209259 Da
  • ChemSpider ID34989605

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-Azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol [German] [ACD/IUPAC Name]
(3R)-1-Azabicyclo[2.2.2]oct-3-yl[bis(2-methylphenyl)]methanol [ACD/IUPAC Name]
(3R)-1-Azabicyclo[2.2.2]oct-3-yl[bis(2-méthylphényl)]méthanol [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octane-3-methanol, α,α-bis(2-methylphenyl)-, (3R)- [ACD/Index Name]
57734-69-7 [RN]
Sequifenadine [INN]
UNII-C7Q3TBR3FP

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

Density: 1.1±0.1 g/cm3
Boiling Point: 455.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 215.1±26.0 °C
Index of Refraction: 1.624
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.38
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 7.58
Polar Surface Area: 23 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 280.6±5.0 cm3

Click to predict properties on the Chemicalize site


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