ChemSpider 2D Image | 1-[(4aR,8aR)-1-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)methyl]octahydro-1,6-naphthyridin-6(2H)-yl]-2-methyl-1-propanone | C19H32N4O

1-[(4aR,8aR)-1-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)methyl]octahydro-1,6-naphthyridin-6(2H)-yl]-2-methyl-1-propanone

  • Molecular FormulaC19H32N4O
  • Average mass332.484 Da
  • Monoisotopic mass332.257599 Da
  • ChemSpider ID23041006
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-[(4aR,8aR)-1-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)methyl]octahydro-1,6-naphthyridin-6(2H)-yl]-2-methyl-1-propanon [German] [ACD/IUPAC Name]
1-[(4aR,8aR)-1-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)methyl]octahydro-1,6-naphthyridin-6(2H)-yl]-2-methyl-1-propanone [ACD/IUPAC Name]
1-[(4aR,8aR)-1-[(1-Éthyl-3-méthyl-1H-pyrazol-4-yl)méthyl]octahydro-1,6-naphtyridin-6(2H)-yl]-2-méthyl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[(4aR,8aR)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]octahydro-1,6-naphthyridin-6(2H)-yl]-2-methyl- [ACD/Index Name]
(4aR*,8aR*)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-6-isobutyryldecahydro-1,6-naphthyridine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 481.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.9±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 97.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.99
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 9.56
ACD/KOC (pH 7.4): 93.76
Polar Surface Area: 41 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 283.8±7.0 cm3

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