ChemSpider 2D Image | {3-Cyano-5,5-dimethyl-4-[(1E,3E)-4-(1-piperidinyl)-1,3-butadien-1-yl]-2(5H)-furanylidene}malononitrile | C19H20N4O

{3-Cyano-5,5-dimethyl-4-[(1E,3E)-4-(1-piperidinyl)-1,3-butadien-1-yl]-2(5H)-furanylidene}malononitrile

  • Molecular FormulaC19H20N4O
  • Average mass320.388 Da
  • Monoisotopic mass320.163696 Da
  • ChemSpider ID30655435

  • Double-bond stereo - Double-bond stereo

More details:

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

{3-Cyan-5,5-dimethyl-4-[(1E,3E)-4-(1-piperidinyl)-1,3-butadien-1-yl]-2(5H)-furanyliden}malononitril [German] [ACD/IUPAC Name]
{3-Cyano-5,5-dimethyl-4-[(1E,3E)-4-(1-piperidinyl)-1,3-butadien-1-yl]-2(5H)-furanylidene}malononitrile [ACD/IUPAC Name]
{3-Cyano-5,5-diméthyl-4-[(1E,3E)-4-(1-pipéridinyl)-1,3-butadién-1-yl]-2(5H)-furanylidène}malononitrile [French] [ACD/IUPAC Name]
Propanedinitrile, 2-[3-cyano-5,5-dimethyl-4-[(1E,3E)-4-(1-piperidinyl)-1,3-butadien-1-yl]-2(5H)-furanylidene]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 377.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 181.9±27.9 °C
Index of Refraction: 1.581
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.29
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 17.75
ACD/KOC (pH 7.4): 183.81
Polar Surface Area: 84 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 270.3±5.0 cm3

Click to predict properties on the Chemicalize site


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