ChemSpider 2D Image | 4-(2-{[2-(3-Fluorophenyl)ethyl]amino}-3,4-dioxo-1-cyclobuten-1-yl)-1-piperazinecarbaldehyde | C17H18FN3O3

4-(2-{[2-(3-Fluorophenyl)ethyl]amino}-3,4-dioxo-1-cyclobuten-1-yl)-1-piperazinecarbaldehyde

  • Molecular FormulaC17H18FN3O3
  • Average mass331.341 Da
  • Monoisotopic mass331.133209 Da
  • ChemSpider ID27321956

More details:






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

1-Piperazinecarboxaldehyde, 4-[2-[[2-(3-fluorophenyl)ethyl]amino]-3,4-dioxo-1-cyclobuten-1-yl]- [ACD/Index Name]
4-(2-{[2-(3-Fluorophenyl)ethyl]amino}-3,4-dioxo-1-cyclobuten-1-yl)-1-piperazinecarbaldehyde [ACD/IUPAC Name]
4-(2-{[2-(3-Fluorophényl)éthyl]amino}-3,4-dioxo-1-cyclobutén-1-yl)-1-pipérazinecarbaldéhyde [French] [ACD/IUPAC Name]
4-(2-{[2-(3-Fluorphenyl)ethyl]amino}-3,4-dioxo-1-cyclobuten-1-yl)-1-piperazincarbaldehyd [German] [ACD/IUPAC Name]
1324069-35-3 [RN]
4-(2-{[2-(3-fluorophenyl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carbaldehyde
4-[2-[2-(3-fluorophenyl)ethylamino]-3,4-dioxocyclobuten-1-yl]piperazine-1-carbaldehyde
C17H18FN3O3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 521.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.9±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 85.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 43.76
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 43.76
Polar Surface Area: 70 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 242.0±5.0 cm3

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