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Search term: JOWTXKLQSINMKI-HOCLYGCPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R)-1-Azabicyclo[2.2.2]oct-3-yl (2S)-2-hydroxy-2-phenylpropanoate | C16H21NO3

(3R)-1-Azabicyclo[2.2.2]oct-3-yl (2S)-2-hydroxy-2-phenylpropanoate

  • Molecular FormulaC16H21NO3
  • Average mass275.343 Da
  • Monoisotopic mass275.152130 Da
  • ChemSpider ID28639622

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Hydroxy-2-phénylpropanoate de (3R)-1-azabicyclo[2.2.2]oct-3-yle [French] [ACD/IUPAC Name]
(3R)-1-Azabicyclo[2.2.2]oct-3-yl (2S)-2-hydroxy-2-phenylpropanoate [ACD/IUPAC Name]
(3R)-1-Azabicyclo[2.2.2]oct-3-yl-(2S)-2-hydroxyhydratropaat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-hydroxy-α-methyl-, (3R)-1-azabicyclo[2.2.2]oct-3-yl ester, (αS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 410.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 201.8±25.9 °C
Index of Refraction: 1.592
Molar Refractivity: 76.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.05
Polar Surface Area: 50 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 225.4±5.0 cm3

Click to predict properties on the Chemicalize site


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