ChemSpider 2D Image | 4-(2-Hydroxy-6-oxo-1,6-dihydro-3-pyridinyl)-N-methyl-4-oxo-1-butanaminium | C10H15N2O3

4-(2-Hydroxy-6-oxo-1,6-dihydro-3-pyridinyl)-N-methyl-4-oxo-1-butanaminium

  • Molecular FormulaC10H15N2O3
  • Average mass211.237 Da
  • Monoisotopic mass211.107712 Da
  • ChemSpider ID28533067

  • Charge - Charge

More details:

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

1-Butanone, 1-(2,6-dihydroxy-3-pyridinyl)-4-(methylamino)-, conjugate monoacid [ACD/Index Name]
4-(2-Hydroxy-6-oxo-1,6-dihydro-3-pyridinyl)-N-methyl-4-oxo-1-butanaminium [ACD/IUPAC Name]
4-(2-Hydroxy-6-oxo-1,6-dihydro-3-pyridinyl)-N-methyl-4-oxo-1-butanaminium [German] [ACD/IUPAC Name]
4-(2-Hydroxy-6-oxo-1,6-dihydro-3-pyridinyl)-N-méthyl-4-oxo-1-butanaminium [French] [ACD/IUPAC Name]
2,6-dihydroxypseudooxynicotine
2,6-dihydroxypseudooxynicotinium(1+)
4-(2,6-dihydroxypyridin-3-yl)-N-methyl-4-oxobutan-1-aminium
  • Miscellaneous

    • Chemical Class:

      An organic cation that is the conjugate acid of 2,6-dihydroxypseudooxynicotine, obtained by protonation of the secondary amino group; major species at pH 7.3. ChEBI CHEBI:66944

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

Density:
Boiling Point: 475.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 241.3±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -2.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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