ChemSpider 2D Image | 4-({(Z)-[(4Z)-2,3-Dihydroxy-4-(propylimino)-2-cyclobuten-1-ylidene]amino}methyl)benzonitrile | C15H15N3O2

4-({(Z)-[(4Z)-2,3-Dihydroxy-4-(propylimino)-2-cyclobuten-1-ylidene]amino}methyl)benzonitrile

  • Molecular FormulaC15H15N3O2
  • Average mass269.298 Da
  • Monoisotopic mass269.116425 Da
  • ChemSpider ID23117923

  • Double-bond stereo - Double-bond stereo

More details:

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

4-({(Z)-[(4Z)-2,3-Dihydroxy-4-(propylimino)-2-cyclobuten-1-yliden]amino}methyl)benzonitril [German] [ACD/IUPAC Name]
4-({(Z)-[(4Z)-2,3-Dihydroxy-4-(propylimino)-2-cyclobuten-1-ylidene]amino}methyl)benzonitrile [ACD/IUPAC Name]
4-({(Z)-[(4Z)-2,3-Dihydroxy-4-(propylimino)-2-cyclobutén-1-ylidène]amino}méthyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[[(1Z,4Z)-2,3-dihydroxy-4-(propylimino)-2-cyclobuten-1-ylidene]amino]methyl]- [ACD/Index Name]
4-({[(1Z,4Z)-2,3-dihydroxy-4-(propylimino)cyclobut-2-en-1-ylidene]amino}methyl)benzonitrile
4-[(3,4-Dioxo-2-propylamino-cyclobut-1-enylamino)-methyl]-benzonitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 439.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 219.8±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 76.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 19.63
ACD/KOC (pH 5.5): 272.08
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 14.88
Polar Surface Area: 89 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 217.0±7.0 cm3

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