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Search term: LXSZVOUDYGKZNI-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Methyl-3-oxo-7-(4-pyridinyl)-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile | C16H15N3O

1-Methyl-3-oxo-7-(4-pyridinyl)-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile

  • Molecular FormulaC16H15N3O
  • Average mass265.310 Da
  • Monoisotopic mass265.121521 Da
  • ChemSpider ID14688057

More details:

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

1-Methyl-3-oxo-7-(4-pyridinyl)-2,3,5,6,7,8-hexahydro-4-isochinolincarbonitril [German] [ACD/IUPAC Name]
1-Méthyl-3-oxo-7-(4-pyridinyl)-2,3,5,6,7,8-hexahydro-4-isoquinoléinecarbonitrile [French] [ACD/IUPAC Name]
1-Methyl-3-oxo-7-(4-pyridinyl)-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile [ACD/IUPAC Name]
3-hydroxy-1-methyl-7-(pyridin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-methyl-3-oxo-7-(4-pyridinyl)- [ACD/Index Name]
1-Methyl-3-oxo-7-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, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 548.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.3±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 74.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 3.14
ACD/KOC (pH 5.5): 58.22
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.90
ACD/KOC (pH 7.4): 165.21
Polar Surface Area: 66 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 210.9±5.0 cm3

Click to predict properties on the Chemicalize site


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