Phenylbutazone

Compound Structure

CAS Number: 50-33-9

Molecular Mass: 308.4 g/mol

Formula: C19H20N2O2

Smiles: CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 283.14 - 13.93 [365]
1-Butanol 288.15 - 18.41 [365]
1-Butanol 293.15 - 23.85 [365]
1-Butanol 298.15 - 30.93 [365]
1-Butanol 303.15 - 41.32 [365]
1-Butanol 308.15 - 56.2 [365]
1-Butanol 313.15 - 79.96 [365]
1-Butanol 318.15 - 113.4 [365]
1-Butanol 323.15 - 166.1 [365]
1-Hexanol 283.15 - 9.862 [365]
1-Hexanol 288.05 - 11.65 [365]
1-Hexanol 293.05 - 15.72 [365]
1-Hexanol 298.15 - 20.97 [365]
1-Hexanol 303.15 - 31.09 [365]
1-Hexanol 308.15 - 43.72 [365]
1-Hexanol 313.15 - 59.43 [365]
1-Hexanol 318.15 - 85.75 [365]
1-Hexanol 323.15 - 119.5 [365]
1-Pentanol 283.15 - 11.9 [365]
1-Pentanol 288.15 - 15.51 [365]
1-Pentanol 293.12 - 19.89 [365]
1-Pentanol 298.11 - 25.33 [365]
1-Pentanol 303.15 - 34.62 [365]
1-Pentanol 308.15 - 47.28 [365]
1-Pentanol 313.15 - 63.25 [365]
1-Pentanol 318.13 - 92.1 [365]
1-Pentanol 323.16 - 140.2 [365]
Acetone 283.15 - 323.1 [365]
Acetone 288.13 - 381.8 [365]
Acetone 293.15 - 448.8 [365]
Acetone 298.17 - 531.9 [365]
Acetone 303.15 - 632.2 [365]
Acetone 308.13 - 743.1 [365]
Acetone 313.15 - 872.3 [365]
Acetone 318.15 - 1018.1 [365]
Acetone 323.15 - 1173.2 [365]
Acetonitrile 283.12 - 207.7 [365]
Acetonitrile 288.15 - 283.3 [365]
Acetonitrile 293.15 - 396.3 [365]
Acetonitrile 298.17 - 573.8 [365]
Acetonitrile 303.15 - 730.8 [365]
Acetonitrile 308.13 - 909.1 [365]
Acetonitrile 313.1 - 1121.0 [365]
Acetonitrile 318.17 - 1366.1 [365]
Acetonitrile 323.16 - 1638.0 [365]
Dimethylformamide 283.13 - 521.5 [365]
Dimethylformamide 288.15 - 603.7 [365]
Dimethylformamide 293.15 - 692.1 [365]
Dimethylformamide 298.13 - 795.4 [365]
Dimethylformamide 303.15 - 910.5 [365]
Dimethylformamide 308.15 - 1038.0 [365]
Dimethylformamide 313.15 - 1188.1 [365]
Dimethylformamide 318.6 - 1368.2 [365]
Dimethylformamide 323.17 - 1561.1 [365]
Ethanol 283.13 - 21.25 [365]
Ethanol 288.1 - 25.21 [365]
Ethanol 293.2 - 32.17 [365]
Ethanol 298.15 - 40.96 [365]
Ethanol 303.15 - 53.0 [365]
Ethanol 308.15 - 69.63 [365]
Ethanol 313.2 - 93.61 [365]
Ethanol 318.15 - 132.4 [365]
Ethanol 323.15 - 196.8 [365]
Ethyl acetate 283.15 - 217.8 [365]
Ethyl acetate 288.15 - 262.7 [365]
Ethyl acetate 293.15 - 310.5 [365]
Ethyl acetate 298.13 - 363.8 [365]
Ethyl acetate 303.15 - 431.1 [365]
Ethyl acetate 308.15 - 516.7 [365]
Ethyl acetate 313.37 - 623.5 [365]
Ethyl acetate 318.3 - 736.8 [365]
Ethyl acetate 323.17 - 867.5 [365]
Isopropanol 283.15 - 10.18 [365]
Isopropanol 288.15 - 12.28 [365]
Isopropanol 293.05 - 16.31 [365]
Isopropanol 298.15 - 22.65 [365]
Isopropanol 303.9 - 32.89 [365]
Isopropanol 308.15 - 43.86 [365]
Isopropanol 313.13 - 65.97 [365]
Isopropanol 318.65 - 102.1 [365]
Isopropanol 323.15 - 161.5 [365]
Methanol 283.12 - 32.5 [365]
Methanol 288.03 - 39.89 [365]
Methanol 293.13 - 50.12 [365]
Methanol 298.16 - 63.42 [365]
Methanol 303.14 - 81.59 [365]
Methanol 308.15 - 107.2 [365]
Methanol 313.15 - 143.2 [365]
Methanol 318.15 - 198.2 [365]
Methanol 323.15 - 287.7 [365]

Molecule 3D descriptors

Descriptor Value
PMI1 1564.4252
PMI2 2413.3938
PMI3 3404.8365
NPR1 0.4595
NPR2 0.7088
RadiusOfGyration 3.4598
InertialShapeFactor 0.0005
Eccentricity 0.8882
Asphericity 0.1868
SpherocityIndex 0.2535
PBF 0.9840