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Search term: AYPIJAMXGVYYRQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[(3-Ethyl-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-5-methylbenzonitrile | C18H19N3O3

3-[(3-Ethyl-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-5-methylbenzonitrile

  • Molecular FormulaC18H19N3O3
  • Average mass325.362 Da
  • Monoisotopic mass325.142639 Da
  • ChemSpider ID24662280

More details:

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

3-[(3-Ethyl-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-5-methylbenzonitril [German] [ACD/IUPAC Name]
3-[(3-Ethyl-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-5-methylbenzonitrile [ACD/IUPAC Name]
3-[(3-Éthyl-5-isopropyl-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)carbonyl]-5-méthylbenzonitrile [French] [ACD/IUPAC Name]
3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
Benzonitrile, 3-[[3-ethyl-1,2,3,6-tetrahydro-5-(1-methylethyl)-2,6-dioxo-4-pyrimidinyl]carbonyl]-5-methyl- [ACD/Index Name]
KRV

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.590
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.05
ACD/KOC (pH 5.5): 276.02
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.48
ACD/KOC (pH 7.4): 267.32
Polar Surface Area: 90 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 259.3±5.0 cm3

Click to predict properties on the Chemicalize site


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