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Search term: DDEZBNBWQADHCQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-{4-[5-Methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinyl]-1-piperazinyl}quinuclidine | C19H28N8

3-{4-[5-Methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinyl]-1-piperazinyl}quinuclidine

  • Molecular FormulaC19H28N8
  • Average mass368.479 Da
  • Monoisotopic mass368.243683 Da
  • ChemSpider ID22354315

More details:






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

1-Azabicyclo[2.2.2]octane, 3-[4-[5-methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinyl]-1-piperazinyl]- [ACD/Index Name]
3-{4-[5-Methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinyl]-1-piperazinyl}chinuclidin [German] [ACD/IUPAC Name]
3-{4-[5-Methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinyl]-1-piperazinyl}quinuclidine [ACD/IUPAC Name]
3-{4-[5-Méthyl-4-(1-méthyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinyl]-1-pipérazinyl}quinuclidine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 596.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.5±32.9 °C
Index of Refraction: 1.757
Molar Refractivity: 105.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 256.1±7.0 cm3

Click to predict properties on the Chemicalize site






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