Edaravone

Compound Structure

CAS Number: 89-25-8

Molecular Mass: 174.2 g/mol

Formula: C10H10N2O

Smiles: CC1=NN(c2ccccc2)C(=O)C1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,2-Dichloroethane 283.15 - 60.04 [319]
1,2-Dichloroethane 288.15 - 69.68 [319]
1,2-Dichloroethane 293.15 - 81.96 [319]
1,2-Dichloroethane 298.15 - 95.43 [319]
1,2-Dichloroethane 303.15 - 113.9 [319]
1,2-Dichloroethane 308.15 - 133.4 [319]
1,2-Dichloroethane 313.15 - 156.0 [319]
1,2-Dichloroethane 318.15 - 177.7 [319]
1,2-Dichloroethane 323.15 - 207.8 [319]
1,4-Dioxane 288.15 - 57.04 [317]
1,4-Dioxane 293.15 - 72.17 [317]
1,4-Dioxane 303.15 - 102.7 [317]
1,4-Dioxane 313.15 - 143.4 [317]
1,4-Dioxane 323.15 - 220.2 [317]
1-Butanol 283.15 - 37.98 [317]
1-Butanol 293.15 - 53.26 [317]
1-Butanol 303.15 - 72.86 [317]
1-Butanol 313.15 - 99.03 [317]
1-Butanol 323.15 - 139.8 [317]
1-Pentanol 283.15 - 40.79 [317]
1-Pentanol 293.15 - 47.29 [317]
1-Pentanol 303.15 - 63.13 [317]
1-Pentanol 313.15 - 83.21 [317]
1-Pentanol 323.15 - 116.1 [317]
1-Propanol 273.15 - 48.32 [318]
1-Propanol 278.15 - 53.73 [318]
1-Propanol 283.15 - 35.55 [317]
1-Propanol 283.15 - 60.0 [318]
1-Propanol 288.15 - 67.48 [318]
1-Propanol 293.15 - 59.82 [317]
1-Propanol 293.15 - 76.18 [318]
1-Propanol 298.15 - 84.86 [318]
1-Propanol 303.15 - 82.22 [317]
1-Propanol 303.15 - 94.37 [318]
1-Propanol 308.15 - 103.8 [318]
1-Propanol 313.15 - 118.5 [317]
1-Propanol 313.15 - 113.1 [318]
1-Propanol 323.15 - 167.1 [317]
2-Butanol 283.15 - 30.38 [317]
2-Butanol 293.15 - 42.15 [317]
2-Butanol 303.15 - 57.27 [317]
2-Butanol 313.15 - 78.16 [317]
2-Butanol 323.15 - 112.7 [317]
Acetone 283.15 - 40.96 [317]
Acetone 293.15 - 61.77 [317]
Acetone 303.15 - 89.95 [317]
Acetone 313.15 - 137.2 [317]
Acetone 323.15 - 273.9 [317]
Acetonitrile 273.15 - 19.01 [318]
Acetonitrile 278.15 - 24.48 [318]
Acetonitrile 283.15 - 26.75 [317]
Acetonitrile 283.15 - 31.3 [318]
Acetonitrile 288.15 - 39.17 [318]
Acetonitrile 293.15 - 42.35 [317]
Acetonitrile 293.15 - 48.64 [318]
Acetonitrile 298.15 - 60.25 [318]
Acetonitrile 303.15 - 63.46 [317]
Acetonitrile 303.15 - 72.87 [318]
Acetonitrile 308.15 - 88.3 [318]
Acetonitrile 313.15 - 94.47 [317]
Acetonitrile 313.15 - 104.6 [318]
Acetonitrile 323.15 - 145.7 [317]
Butyl acetate 283.15 - 16.81 [319]
Butyl acetate 288.15 - 19.09 [319]
Butyl acetate 293.15 - 21.99 [319]
Butyl acetate 298.15 - 26.16 [319]
Butyl acetate 303.15 - 30.39 [319]
Butyl acetate 308.15 - 35.41 [319]
Butyl acetate 313.15 - 40.67 [319]
Butyl acetate 318.15 - 49.38 [319]
Butyl acetate 323.15 - 56.48 [319]
Dichloromethane 283.15 - 128.9 [317]
Dichloromethane 288.15 - 143.7 [317]
Dichloromethane 293.15 - 168.2 [317]
Dichloromethane 298.15 - 199.6 [317]
Dichloromethane 303.15 - 229.4 [317]
Dimethyl Carbonate 283.15 - 25.12 [319]
Dimethyl Carbonate 288.15 - 29.24 [319]
Dimethyl Carbonate 293.15 - 34.98 [319]
Dimethyl Carbonate 298.15 - 42.19 [319]
Dimethyl Carbonate 303.15 - 53.98 [319]
Dimethyl Carbonate 308.15 - 66.37 [319]
Dimethyl Carbonate 313.15 - 80.65 [319]
Dimethyl Carbonate 318.15 - 96.2 [319]
Dimethyl Carbonate 323.15 - 121.1 [319]
Ethanol 273.15 - 53.37 [318]
Ethanol 278.15 - 60.99 [318]
Ethanol 283.15 - 54.05 [317]
Ethanol 283.15 - 69.7 [318]
Ethanol 288.15 - 77.86 [318]
Ethanol 293.15 - 73.46 [317]
Ethanol 293.15 - 87.71 [318]
Ethanol 298.15 - 98.59 [318]
Ethanol 303.15 - 103.5 [317]
Ethanol 303.15 - 109.8 [318]
Ethanol 308.15 - 121.3 [318]
Ethanol 313.15 - 139.8 [317]
Ethanol 313.15 - 136.1 [318]
Ethanol 323.15 - 183.1 [317]
Ethyl acetate 273.15 - 28.33 [318]
Ethyl acetate 278.15 - 31.95 [318]
Ethyl acetate 283.15 - 23.96 [317]
Ethyl acetate 283.15 - 36.06 [318]
Ethyl acetate 288.15 - 40.97 [318]
Ethyl acetate 293.15 - 28.84 [317]
Ethyl acetate 293.15 - 46.12 [318]
Ethyl acetate 298.15 - 51.62 [318]
Ethyl acetate 303.15 - 35.45 [317]
Ethyl acetate 303.15 - 58.55 [318]
Ethyl acetate 308.15 - 66.7 [318]
Ethyl acetate 313.15 - 59.98 [317]
Ethyl acetate 313.15 - 75.81 [318]
Ethyl acetate 323.15 - 98.48 [317]
Hexane 283.15 - 0.2332 [319]
Hexane 288.15 - 0.3028 [319]
Hexane 293.15 - 0.5252 [319]
Hexane 298.15 - 0.6889 [319]
Hexane 303.15 - 0.8702 [319]
Hexane 308.15 - 1.259 [319]
Hexane 313.15 - 1.767 [319]
Hexane 318.15 - 2.218 [319]
Hexane 323.15 - 2.702 [319]
Isoamyl Alcohol 283.15 - 31.45 [319]
Isoamyl Alcohol 288.15 - 34.37 [319]
Isoamyl Alcohol 293.15 - 37.64 [319]
Isoamyl Alcohol 298.15 - 42.61 [319]
Isoamyl Alcohol 303.15 - 46.0 [319]
Isoamyl Alcohol 308.15 - 50.7 [319]
Isoamyl Alcohol 313.15 - 57.43 [319]
Isoamyl Alcohol 318.15 - 65.49 [319]
Isoamyl Alcohol 323.15 - 75.93 [319]
Isobutanol 283.15 - 29.51 [317]
Isobutanol 293.15 - 41.92 [317]
Isobutanol 303.15 - 55.43 [317]
Isobutanol 313.15 - 76.57 [317]
Isobutanol 323.15 - 111.1 [317]
Isobutyl Acetate 288.15 - 14.48 [319]
Isobutyl Acetate 293.15 - 16.31 [319]
Isobutyl Acetate 298.15 - 18.71 [319]
Isobutyl Acetate 303.15 - 21.25 [319]
Isobutyl Acetate 308.15 - 25.08 [319]
Isobutyl Acetate 313.15 - 29.93 [319]
Isobutyl Acetate 318.15 - 34.93 [319]
Isobutyl Acetate 323.15 - 40.19 [319]
Isobutyl Acetate 328.15 - 47.7 [319]
Isopropanol 283.15 - 31.46 [317]
Isopropanol 293.15 - 43.18 [317]
Isopropanol 303.15 - 61.93 [317]
Isopropanol 313.15 - 82.09 [317]
Isopropanol 323.15 - 119.3 [317]
Methanol 273.15 - 47.98 [318]
Methanol 278.15 - 57.57 [318]
Methanol 283.15 - 86.25 [317]
Methanol 283.15 - 67.52 [318]
Methanol 288.15 - 78.89 [318]
Methanol 293.15 - 122.7 [317]
Methanol 293.15 - 91.12 [318]
Methanol 298.15 - 104.4 [318]
Methanol 303.15 - 177.9 [317]
Methanol 303.15 - 119.7 [318]
Methanol 308.15 - 136.0 [318]
Methanol 313.15 - 249.9 [317]
Methanol 313.15 - 154.2 [318]
Methanol 323.15 - 376.9 [317]
Methyl acetate 283.15 - 36.34 [319]
Methyl acetate 288.15 - 40.91 [319]
Methyl acetate 293.15 - 45.05 [319]
Methyl acetate 298.15 - 52.99 [319]
Methyl acetate 303.15 - 59.28 [319]
Methyl acetate 308.15 - 66.23 [319]
Methyl acetate 313.15 - 77.28 [319]
Methyl acetate 318.15 - 93.31 [319]
Methyl acetate 323.15 - 105.4 [319]
Methyl ethyl ketone 283.15 - 40.29 [319]
Methyl ethyl ketone 288.15 - 48.1 [319]
Methyl ethyl ketone 293.15 - 62.81 [319]
Methyl ethyl ketone 298.15 - 74.69 [319]
Methyl ethyl ketone 303.15 - 87.67 [319]
Methyl ethyl ketone 308.15 - 112.5 [319]
Methyl ethyl ketone 313.15 - 137.7 [319]
Methyl ethyl ketone 318.15 - 165.9 [319]
Methyl ethyl ketone 323.15 - 257.5 [319]
Methyl isobutyl ketone 283.15 - 15.22 [319]
Methyl isobutyl ketone 288.15 - 19.64 [319]
Methyl isobutyl ketone 293.15 - 28.21 [319]
Methyl isobutyl ketone 298.15 - 34.52 [319]
Methyl isobutyl ketone 303.15 - 44.28 [319]
Methyl isobutyl ketone 308.15 - 51.79 [319]
Methyl isobutyl ketone 313.15 - 58.81 [319]
Methyl isobutyl ketone 318.15 - 70.45 [319]
Methyl isobutyl ketone 323.15 - 87.2 [319]
Propyl acetate 283.15 - 22.13 [319]
Propyl acetate 288.15 - 26.13 [319]
Propyl acetate 293.15 - 30.5 [319]
Propyl acetate 298.15 - 35.11 [319]
Propyl acetate 303.15 - 42.4 [319]
Propyl acetate 308.15 - 48.82 [319]
Propyl acetate 313.15 - 58.95 [319]
Propyl acetate 318.15 - 69.37 [319]
Propyl acetate 323.15 - 85.04 [319]
Water 283.15 - 1.479 [317]
Water 293.15 - 1.574 [317]
Water 303.15 - 1.676 [317]
Water 313.15 - 1.814 [317]
Water 323.15 - 2.01 [317]
isopropyl acetate 283.15 - 14.84 [319]
isopropyl acetate 288.15 - 17.69 [319]
isopropyl acetate 293.15 - 21.29 [319]
isopropyl acetate 298.15 - 24.35 [319]
isopropyl acetate 303.15 - 27.96 [319]
isopropyl acetate 308.15 - 33.24 [319]
isopropyl acetate 313.15 - 39.31 [319]
isopropyl acetate 318.15 - 47.45 [319]
isopropyl acetate 323.15 - 53.19 [319]

Molecule 3D descriptors

Descriptor Value
PMI1 283.2222
PMI2 965.6835
PMI3 1242.4011
NPR1 0.2280
NPR2 0.7773
RadiusOfGyration 2.6741
InertialShapeFactor 0.0027
Eccentricity 0.9737
Asphericity 0.4712
SpherocityIndex 0.0401
PBF 0.1562