ChemSpider 2D Image | Methyl {(2S,4S)-6-[(8aS)-1,2,3,5,6,8a-hexahydro-8-indolizinyl]-4-methyl-2,3,4,5-tetrahydro-2-pyridinyl}acetate | C17H26N2O2

Methyl {(2S,4S)-6-[(8aS)-1,2,3,5,6,8a-hexahydro-8-indolizinyl]-4-methyl-2,3,4,5-tetrahydro-2-pyridinyl}acetate

  • Molecular FormulaC17H26N2O2
  • Average mass290.401 Da
  • Monoisotopic mass290.199432 Da
  • ChemSpider ID28637660

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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{(2S,4S)-6-[(8aS)-1,2,3,5,6,8a-Hexahydro-8-indolizinyl]-4-méthyl-2,3,4,5-tétrahydro-2-pyridinyl}acétate de méthyle [French] [ACD/IUPAC Name]
2-Pyridineacetic acid, 6-[(8aS)-1,2,3,5,6,8a-hexahydro-8-indolizinyl]-2,3,4,5-tetrahydro-4-methyl-, methyl ester, (2S,4S)- [ACD/Index Name]
Methyl {(2S,4S)-6-[(8aS)-1,2,3,5,6,8a-hexahydro-8-indolizinyl]-4-methyl-2,3,4,5-tetrahydro-2-pyridinyl}acetate [ACD/IUPAC Name]
Methyl-{(2S,4S)-6-[(8aS)-1,2,3,5,6,8a-hexahydro-8-indolizinyl]-4-methyl-2,3,4,5-tetrahydro-2-pyridinyl}acetat [German] [ACD/IUPAC 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: 399.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.3±27.9 °C
Index of Refraction: 1.606
Molar Refractivity: 82.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 3.40
ACD/KOC (pH 7.4): 44.87
Polar Surface Area: 42 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 238.3±7.0 cm3

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