ChemSpider 2D Image | pyrimorph | C22H25ClN2O2

pyrimorph

  • Molecular FormulaC22H25ClN2O2
  • Average mass384.899 Da
  • Monoisotopic mass384.160461 Da
  • ChemSpider ID34448820

More details:

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

(2E)-3-(6-Chlor-3-pyridinyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-(4-morpholinyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(6-Chloro-3-pyridinyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-(4-morpholinyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(6-Chloro-3-pyridinyl)-3-[4-(2-méthyl-2-propanyl)phényl]-1-(4-morpholinyl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(6-chloro-3-pyridinyl)-3-[4-(1,1-dimethylethyl)phenyl]-1-(4-morpholinyl)-, (2E)- [ACD/Index Name]
pyrimorph
3-(4-tert-butylphenyl)-3-(6-chloropyridin-3-yl)-1-(morpholin-4-yl)prop-2-en-1-one
3-(p-tert-butylphenyl)-3-(6-chloropyridin-3-yl)-1-(morpholin-4-yl)prop-2-en-1-one
868390-90-3 [RN]
  • Miscellaneous

    • Chemical Class:

      An <locant>alpha</locant>,<locant>beta</locant>-unsaturated monocarboxylic acid amide resulting from the formal condensation of 3-(<ital>p</ital>-<ital>tert</ital>-butylphenyl)-3-(6-chloropyridin-2-yl )acrylic acid with the amino group of morpholine. A fungicide developed in China, it shows high antifungal activity against diseases caused by <ital>Phytophthora infestans</ital>, <ital>Phytophthora c apsici</ital>, <ital>Rhizoctonia solani</ital>, <ital>Peronophythora litchi</ital>, and <ital>Pseudoperonospora cubensis</ital>. ChEBI CHEBI:83663
      An enamide resulting from the formal condensation of 3-(p-tert-butylphenyl)-3-(6-chloropyridin-2-yl)acrylic acid with the amino group of morpholine. A fungicide developed in China, it shows high antif ungal activity against diseases caused by Phytophthora infestans, Phytophthora capsici, Rhizoctonia solani, Peronophythora litchi, and Pseudoperonospora cubensis. ChEBI CHEBI:83663

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

Density: 1.2±0.1 g/cm3
Boiling Point: 558.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.3±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1289.57
ACD/KOC (pH 5.5): 5862.13
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1289.57
ACD/KOC (pH 7.4): 5862.14
Polar Surface Area: 42 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 327.0±3.0 cm3

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