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ChemSpider 2D Image | (3R)-1-Azabicyclo[2.2.2]oct-3-yl (4-bromophenyl)carbamate | C14H17BrN2O2

(3R)-1-Azabicyclo[2.2.2]oct-3-yl (4-bromophenyl)carbamate

  • Molecular FormulaC14H17BrN2O2
  • Average mass325.201 Da
  • Monoisotopic mass324.047333 Da
  • ChemSpider ID26365399
  • 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 (4-bromophenyl)carbamate [ACD/IUPAC Name]
(3R)-1-Azabicyclo[2.2.2]oct-3-yl-(4-bromphenyl)carbamat [German] [ACD/IUPAC Name]
(4-Bromophényl)carbamate de (3R)-1-azabicyclo[2.2.2]oct-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-(4-bromophenyl)-, (3R)-1-azabicyclo[2.2.2]oct-3-yl ester [ACD/Index Name]
10.1021/jm100834y

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

Density: 1.5±0.1 g/cm3
Boiling Point: 374.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 180.5±23.7 °C
Index of Refraction: 1.631
Molar Refractivity: 76.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 4.50
ACD/KOC (pH 7.4): 43.40
Polar Surface Area: 42 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 215.5±5.0 cm3

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