ChemSpider 2D Image | 3-[(4-Chlorobenzyl)amino]-4-(4-pyridinylamino)-3-cyclobutene-1,2-dione | C16H12ClN3O2

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

  • Molecular FormulaC16H12ClN3O2
  • Average mass313.738 Da
  • Monoisotopic mass313.061798 Da
  • ChemSpider ID24808636

More details:

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

3-[(4-Chlorbenzyl)amino]-4-(4-pyridinylamino)-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-[(4-Chlorobenzyl)amino]-4-(4-pyridinylamino)-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-[(4-Chlorobenzyl)amino]-4-(4-pyridinylamino)-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-[[(4-chlorophenyl)methyl]amino]-4-(4-pyridinylamino)- [ACD/Index Name]
Kinome_2471

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

Density: 1.4±0.1 g/cm3
Boiling Point: 491.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 251.0±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 82.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 19.78
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.25
ACD/KOC (pH 7.4): 254.41
Polar Surface Area: 71 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 219.6±5.0 cm3

Click to predict properties on the Chemicalize site


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