ChemSpider 2D Image | (1E)-1-(1-Allyl-4-hydroxy-2,6-dioxo-1,2,5,6-tetrahydro-5-pyrimidinyl)-N-(4-fluorobenzyl)ethaniminium | C16H17FN3O3

(1E)-1-(1-Allyl-4-hydroxy-2,6-dioxo-1,2,5,6-tetrahydro-5-pyrimidinyl)-N-(4-fluorobenzyl)ethaniminium

  • Molecular FormulaC16H17FN3O3
  • Average mass318.322 Da
  • Monoisotopic mass318.124847 Da
  • ChemSpider ID21205463

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(1E)-1-(1-Allyl-4-hydroxy-2,6-dioxo-1,2,5,6-tetrahydro-5-pyrimidinyl)-N-(4-fluorbenzyl)ethaniminium [German] [ACD/IUPAC Name]
(1E)-1-(1-Allyl-4-hydroxy-2,6-dioxo-1,2,5,6-tetrahydro-5-pyrimidinyl)-N-(4-fluorobenzyl)ethaniminium [ACD/IUPAC Name]
(1E)-1-(1-Allyl-4-hydroxy-2,6-dioxo-1,2,5,6-tétrahydro-5-pyrimidinyl)-N-(4-fluorobenzyl)éthaniminium [French] [ACD/IUPAC Name]
Benzenemethanaminium, 4-fluoro-N-[(1E)-1-[1,2,5,6-tetrahydro-4-hydroxy-2,6-dioxo-1-(2-propen-1-yl)-5-pyrimidinyl]ethylidene]- [ACD/Index Name]

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

Density:
Boiling Point: 453.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 228.3±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.85
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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