ChemSpider 2D Image | (3S,8aS)-3-(2-Bromophenyl)octahydroindolizine | C14H18BrN

(3S,8aS)-3-(2-Bromophenyl)octahydroindolizine

  • Molecular FormulaC14H18BrN
  • Average mass280.203 Da
  • Monoisotopic mass279.062256 Da
  • ChemSpider ID21781773

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

rac-trans-3-(2-Bromophenyl)octahydroindolizine
(3S,8aS)-3-(2-Bromophenyl)octahydroindolizine [ACD/IUPAC Name]
(3S,8aS)-3-(2-Bromophényl)octahydroindolizine [French] [ACD/IUPAC Name]
(3S,8aS)-3-(2-Bromphenyl)octahydroindolizin [German] [ACD/IUPAC Name]
Indolizine, 3-(2-bromophenyl)octahydro-, (3S,8aS)- [ACD/Index Name]
(??)-trans-3-(2-bromophenyl) octahydroindolizine
103729-18-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 328.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 152.4±23.2 °C
Index of Refraction: 1.613
Molar Refractivity: 71.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.49
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 10.94
ACD/KOC (pH 7.4): 53.59
Polar Surface Area: 3 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 204.6±5.0 cm3

Click to predict properties on the Chemicalize site


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