Found 4 results

Search term: HPQILAIJSLHQQC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(3S)-3-(4-Iodophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl](1-pyrrolidinyl)methanone | C19H25IN2O

[(3S)-3-(4-Iodophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl](1-pyrrolidinyl)methanone

  • Molecular FormulaC19H25IN2O
  • Average mass424.319 Da
  • Monoisotopic mass424.101135 Da
  • ChemSpider ID98643352

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

[(3S)-3-(4-Iodophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl](1-pyrrolidinyl)methanone [ACD/IUPAC Name]
[(3S)-3-(4-Iodophényl)-8-méthyl-8-azabicyclo[3.2.1]oct-2-yl](1-pyrrolidinyl)méthanone [French] [ACD/IUPAC Name]
[(3S)-3-(4-Iodphenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl](1-pyrrolidinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [(3S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]-1-pyrrolidinyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 507.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 261.0±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.91
Polar Surface Area: 24 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 287.3±3.0 cm3

Click to predict properties on the Chemicalize site


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