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Search term: ZBEJPVONLRTVIQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3-Chloro-4-hydroxy-5-methoxyphenyl)(2-methyl-4-morpholinyl)acetonitrile | C14H17ClN2O3

(3-Chloro-4-hydroxy-5-methoxyphenyl)(2-methyl-4-morpholinyl)acetonitrile

  • Molecular FormulaC14H17ClN2O3
  • Average mass296.749 Da
  • Monoisotopic mass296.092773 Da
  • ChemSpider ID25956662

More details:

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

(3-Chlor-4-hydroxy-5-methoxyphenyl)(2-methyl-4-morpholinyl)acetonitril [German] [ACD/IUPAC Name]
(3-Chloro-4-hydroxy-5-methoxyphenyl)(2-methyl-4-morpholinyl)acetonitrile [ACD/IUPAC Name]
(3-Chloro-4-hydroxy-5-méthoxyphényl)(2-méthyl-4-morpholinyl)acétonitrile [French] [ACD/IUPAC Name]
4-Morpholineacetonitrile, α-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl- [ACD/Index Name]
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-(2-methylmorpholin-4-yl)acetonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 401.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 196.7±28.7 °C
Index of Refraction: 1.565
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.92
ACD/KOC (pH 5.5): 240.68
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 12.42
ACD/KOC (pH 7.4): 200.35
Polar Surface Area: 66 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 231.9±3.0 cm3

Click to predict properties on the Chemicalize site


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