ChemSpider 2D Image | Benzyl (2S)-octahydro-1H-indole-2-carboxylate | C16H21NO2

Benzyl (2S)-octahydro-1H-indole-2-carboxylate

  • Molecular FormulaC16H21NO2
  • Average mass259.343 Da
  • Monoisotopic mass259.157227 Da
  • ChemSpider ID110806323

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-Octahydro-1H-indole-2-carboxylate de benzyle [French] [ACD/IUPAC Name]
1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, (2S)- [ACD/Index Name]
Benzyl (2S)-octahydro-1H-indole-2-carboxylate [ACD/IUPAC Name]
Benzyl-(2S)-octahydro-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 376.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 181.4±23.2 °C
Index of Refraction: 1.540
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.16
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 3.81
ACD/KOC (pH 7.4): 24.87
Polar Surface Area: 38 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 235.0±3.0 cm3

Click to predict properties on the Chemicalize site


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