ChemSpider 2D Image | 8-[(2E)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione | C16H18N6O4

8-[(2E)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC16H18N6O4
  • Average mass358.352 Da
  • Monoisotopic mass358.138947 Da
  • ChemSpider ID17763046

  • Double-bond stereo - Double-bond stereo

More details:

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

4-hydroxy-3-methoxybenzaldehyde (1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone
8-[(2E)-2-(4-Hydroxy-3-methoxybenzyliden)hydrazino]-1,3,7-trimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(2E)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(2E)-2-(4-Hydroxy-3-méthoxybenzylidène)hydrazino]-1,3,7-triméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
Benzaldehyde, 4-hydroxy-3-methoxy-, 1-[2-(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)hydrazone] [ACD/Index Name]
(E)-8-(2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
2-methoxy-4-{(E)-[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)hydrazinylidene]methyl}phenolate
6299-70-3 [RN]
8-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[N'-(4-Hydroxy-3-methoxy-benzylidene)-hydrazino]-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 607.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.6±3.0 kJ/mol
    Flash Point: 321.4±34.3 °C
    Index of Refraction: 1.679
    Molar Refractivity: 92.9±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 1.85
    ACD/LogD (pH 5.5): 2.04
    ACD/BCF (pH 5.5): 20.76
    ACD/KOC (pH 5.5): 305.07
    ACD/LogD (pH 7.4): 2.03
    ACD/BCF (pH 7.4): 20.26
    ACD/KOC (pH 7.4): 297.82
    Polar Surface Area: 112 Å2
    Polarizability: 36.8±0.5 10-24cm3
    Surface Tension: 56.9±7.0 dyne/cm
    Molar Volume: 245.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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