ChemSpider 2D Image | 3-[(1-Cyclohexylethyl)amino]-4-(4-pyridinylamino)-3-cyclobutene-1,2-dione | C17H21N3O2

3-[(1-Cyclohexylethyl)amino]-4-(4-pyridinylamino)-3-cyclobutene-1,2-dione

  • Molecular FormulaC17H21N3O2
  • Average mass299.367 Da
  • Monoisotopic mass299.163391 Da
  • ChemSpider ID24808634

More details:

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

3-[(1-Cyclohexylethyl)amino]-4-(4-pyridinylamino)-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-[(1-Cyclohexylethyl)amino]-4-(4-pyridinylamino)-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-[(1-Cyclohexyléthyl)amino]-4-(4-pyridinylamino)-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-[(1-cyclohexylethyl)amino]-4-(4-pyridinylamino)- [ACD/Index Name]
Kinome_2475

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

Density: 1.2±0.1 g/cm3
Boiling Point: 450.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 226.0±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 83.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 2.74
ACD/KOC (pH 5.5): 32.97
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 35.20
ACD/KOC (pH 7.4): 423.96
Polar Surface Area: 71 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 245.5±5.0 cm3

Click to predict properties on the Chemicalize site


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