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Search term: WFOOODRZHBDNTB-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Methyl-4-{4-[2-(4-methyl-3-oxo-1-piperazinyl)-2-oxoethyl]phenoxy}benzonitrile | C21H21N3O3

2-Methyl-4-{4-[2-(4-methyl-3-oxo-1-piperazinyl)-2-oxoethyl]phenoxy}benzonitrile

  • Molecular FormulaC21H21N3O3
  • Average mass363.410 Da
  • Monoisotopic mass363.158295 Da
  • ChemSpider ID127435268

More details:

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

2-Methyl-4-{4-[2-(4-methyl-3-oxo-1-piperazinyl)-2-oxoethyl]phenoxy}benzonitril [German] [ACD/IUPAC Name]
2-Methyl-4-{4-[2-(4-methyl-3-oxo-1-piperazinyl)-2-oxoethyl]phenoxy}benzonitrile [ACD/IUPAC Name]
2-Méthyl-4-{4-[2-(4-méthyl-3-oxo-1-pipérazinyl)-2-oxoéthyl]phénoxy}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-methyl-4-[4-[2-(4-methyl-3-oxo-1-piperazinyl)-2-oxoethyl]phenoxy]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.6±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.20
ACD/KOC (pH 5.5): 463.28
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.20
ACD/KOC (pH 7.4): 463.28
Polar Surface Area: 74 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 283.5±5.0 cm3

Click to predict properties on the Chemicalize site


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