ChemSpider 2D Image | (2Z)-2-Amino-3-[(E)-(2-hydroxy-3-methylbenzylidene)amino]-2-butenedinitrile | C12H10N4O

(2Z)-2-Amino-3-[(E)-(2-hydroxy-3-methylbenzylidene)amino]-2-butenedinitrile

  • Molecular FormulaC12H10N4O
  • Average mass226.234 Da
  • Monoisotopic mass226.085464 Da
  • ChemSpider ID30657683

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Amino-3-[(E)-(2-hydroxy-3-methylbenzyliden)amino]-2-butendinitril [German] [ACD/IUPAC Name]
(2Z)-2-Amino-3-[(E)-(2-hydroxy-3-methylbenzylidene)amino]-2-butenedinitrile [ACD/IUPAC Name]
(2Z)-2-Amino-3-[(E)-(2-hydroxy-3-méthylbenzylidène)amino]-2-butènedinitrile [French] [ACD/IUPAC Name]
2-Butenedinitrile, 2-amino-3-[[(1E)-(2-hydroxy-3-methylphenyl)methylene]amino]-, (2Z)- [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: 452.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 227.2±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 64.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.68
ACD/KOC (pH 5.5): 104.88
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.65
ACD/KOC (pH 7.4): 81.93
Polar Surface Area: 106 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 188.8±7.0 cm3

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