Paracetamol

Analgesic and antipyretic drug used for the treatment of mild to moderate pain and reduction of fever. Its precise mechanism of analgesic and antipyretic action is not fully established

Compound Structure

CAS Number: 103-90-2

Molecular Mass: 151.16 g/mol

Formula: C8H9NO2

Smiles: CC(=O)Nc1ccc(O)cc1

Synonymes:

Bioactivity: Analgesic; antipyretic

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 334.55 - 65.0 [24]
1,4-Dioxane 335.35 - 68.6 [24]
1,4-Dioxane 336.65 - 74.0 [24]
1,4-Dioxane 336.95 - 74.0 [24]
1,4-Dioxane 337.25 - 75.8 [24]
1,4-Dioxane 337.85 - 79.4 [24]
1-Butanol 293.05 - 62.38 [14]
1-Butanol 302.95 - 75.11 [14]
1-Butanol 312.55 - 90.0 [14]
1-Butanol 323.05 - 113.2 [14]
1-Butanol 332.55 - 136.8 [14]
1-Butanol 343.65 - 173.0 [14]
1-Butanol 353.15 - 223.6 [14]
1-Butanol 362.65 - 277.2 [14]
1-Octanol 262.78 - 5.64 [13]
1-Octanol 275.42 - 8.04 [13]
1-Octanol 285.72 - 10.13 [13]
1-Octanol 301.15 - 14.58 [13]
1-Pentanol 303.55 - 54.7 [14]
1-Pentanol 313.85 - 67.31 [14]
1-Pentanol 323.65 - 82.27 [14]
1-Pentanol 333.65 - 106.0 [14]
1-Pentanol 343.55 - 130.8 [14]
1-Pentanol 353.75 - 159.9 [14]
1-Pentanol 361.55 - 194.3 [14]
1-Propanol 293.05 - 86.88 [14]
1-Propanol 302.95 - 105.6 [14]
1-Propanol 312.55 - 129.0 [14]
1-Propanol 322.55 - 155.6 [14]
1-Propanol 332.25 - 199.0 [14]
1-Propanol 342.15 - 255.2 [14]
1-Propanol 351.25 - 314.0 [14]
1-Propanol 359.15 - 373.4 [14]
Acetone 292.95 - 69.57 [14]
Acetone 302.85 - 86.94 [14]
Acetone 311.95 - 112.9 [14]
Acetone 320.65 - 144.0 [14]
Acetonitrile 293.2 - 19.78 [20]
Acetonitrile 298.2 - 23.21 [20]
Acetonitrile 303.2 - 26.8 [20]
Acetonitrile 308.2 - 30.5 [20]
Acetonitrile 313.2 - 33.43 [20]
Diethylene Glycol Monoethyl Ether 298.15 - 138.3 [23]
Diethylene Glycol Monoethyl Ether 303.15 - 148.2 [23]
Diethylene Glycol Monoethyl Ether 308.15 - 158.7 [23]
Diethylene Glycol Monoethyl Ether 313.15 - 169.3 [23]
Diethylene Glycol Monoethyl Ether 318.15 - 182.5 [23]
Diethylene Glycol Monoethyl Ether 323.15 - 195.9 [23]
Diethylene Glycol Monoethyl Ether 328.15 - 213.8 [23]
Diethylene Glycol Monoethyl Ether 333.15 - 232.2 [23]
Ethanol 284.49 - 121.5 [13]
Ethanol 288.38 - 128.7 [13]
Ethanol 293.15 - 137.6 [12]
Ethanol 293.54 - 138.6 [13]
Ethanol 295.15 - 150.2 [14]
Ethanol 295.69 - 147.2 [13]
Ethanol 298.15 - 148.8 [12]
Ethanol 303.15 - 169.0 [12]
Ethanol 305.35 - 181.2 [14]
Ethanol 308.15 - 183.0 [12]
Ethanol 313.15 - 192.2 [12]
Ethanol 314.15 - 201.3 [14]
Ethanol 322.15 - 247.4 [14]
Ethanol 332.95 - 324.0 [14]
Ethanol 341.25 - 400.9 [14]
Ethanol 350.05 - 531.8 [14]
Ethanol 360.15 - 659.2 [14]
Isopropanol 273.5 - 53.05 [13]
Isopropanol 289.99 - 76.61 [13]
Isopropanol 293.65 - 85.51 [14]
Isopropanol 302.5 - 97.09 [13]
Isopropanol 304.05 - 104.7 [14]
Isopropanol 313.05 - 124.2 [14]
Isopropanol 320.25 - 143.4 [14]
Isopropanol 325.35 - 162.8 [14]
Isopropanol 330.25 - 181.9 [14]
Isopropanol 336.15 - 220.5 [14]
Isopropanol 343.45 - 258.0 [14]
Isopropanol 348.15 - 293.0 [14]
Isopropanol 353.05 - 330.1 [14]
Isopropanol 356.15 - 348.2 [14]
Methanol 293.45 - 235.6 [14]
Methanol 303.55 - 290.0 [14]
Methanol 313.95 - 362.5 [14]
Methanol 323.35 - 446.8 [14]
Methanol 330.95 - 545.6 [14]
Methanol 341.55 - 745.2 [14]
Methanol 354.15 - 1026.3 [14]
Propylene Glycol 293.15 - 104.5 [12]
Propylene Glycol 298.15 - 111.6 [12]
Propylene Glycol 303.15 - 131.2 [12]
Propylene Glycol 308.15 - 144.9 [12]
Propylene Glycol 313.15 - 165.1 [12]
Water 293.15 - 13.0 [15]
Water 293.15 - 13.33 [16]
Water 293.15 - 84.18 [18]
Water 293.15 - 12.75 [19]
Water 293.15 - 12.7 [22]
Water 293.2 - 13.76 [20]
Water 298.15 - 16.09 [15]
Water 298.15 - 15.41 [16]
Water 298.15 - 15.02 [17]
Water 298.15 - 15.51 [19]
Water 298.15 - 15.88 [21]
Water 298.15 - 16.82 [22]
Water 298.15 - 13.4 [23]
Water 298.2 - 16.92 [20]
Water 303.15 - 18.0 [15]
Water 303.15 - 18.75 [16]
Water 303.15 - 17.04 [17]
Water 303.15 - 131.7 [18]
Water 303.15 - 17.5 [19]
Water 303.15 - 18.7 [21]
Water 303.15 - 18.45 [22]
Water 303.15 - 15.9 [23]
Water 303.2 - 19.14 [20]
Water 308.15 - 22.25 [15]
Water 308.15 - 21.28 [16]
Water 308.15 - 20.95 [17]
Water 308.15 - 21.41 [19]
Water 308.15 - 22.25 [21]
Water 308.15 - 24.07 [22]
Water 308.15 - 19.2 [23]
Water 308.2 - 23.7 [20]
Water 310.15 - 22.73 [15]
Water 313.15 - 25.39 [15]
Water 313.15 - 25.13 [16]
Water 313.15 - 24.66 [17]
Water 313.15 - 205.2 [18]
Water 313.15 - 26.31 [19]
Water 313.15 - 25.09 [21]
Water 313.15 - 27.88 [22]
Water 313.15 - 22.5 [23]
Water 313.2 - 26.07 [20]
Water 318.15 - 30.01 [16]
Water 318.15 - 27.5 [23]
Water 323.15 - 299.8 [18]
Water 323.15 - 33.0 [23]
Water 328.15 - 39.1 [23]
Water 333.15 - 45.6 [23]

Molecule 3D descriptors

Descriptor Value
PMI1 141.4820
PMI2 923.6686
PMI3 1061.8882
NPR1 0.1332
NPR2 0.8698
RadiusOfGyration 2.6524
InertialShapeFactor 0.0061
Eccentricity 0.9911
Asphericity 0.6534
SpherocityIndex 0.0262
PBF 0.1070