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Search term: WQSIMKQSKMGGEX-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 3-Hydroxy-1-methyl-6-(4-pyridinyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile | C16H15N3O

3-Hydroxy-1-methyl-6-(4-pyridinyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile

  • Molecular FormulaC16H15N3O
  • Average mass265.310 Da
  • Monoisotopic mass265.121521 Da
  • ChemSpider ID23201499

More details:






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

3-Hydroxy-1-methyl-6-(4-pyridinyl)-5,6,7,8-tetrahydro-4-isochinolincarbonitril [German] [ACD/IUPAC Name]
3-Hydroxy-1-méthyl-6-(4-pyridinyl)-5,6,7,8-tétrahydro-4-isoquinoléinecarbonitrile [French] [ACD/IUPAC Name]
3-Hydroxy-1-methyl-6-(4-pyridinyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile [ACD/IUPAC Name]
3-hydroxy-1-methyl-6-(pyridin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
4-isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-hydroxy-1-methyl-6-(4-pyridinyl)- [ACD/Index Name]
1-Methyl-3-oxo-6-pyridin-4-yl-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 513.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 264.4±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 74.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 9.03
ACD/KOC (pH 5.5): 117.44
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 12.25
ACD/KOC (pH 7.4): 159.32
Polar Surface Area: 70 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 205.6±5.0 cm3

Click to predict properties on the Chemicalize site






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