Antipyrine

Compound Structure

CAS Number: 60-80-0

Molecular Mass: 188.23 g/mol

Formula: C11H12N2O

Smiles: Cc1cc(=O)n(-c2ccccc2)n1C

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 288.15 - 365.0 [225]
1-Butanol 293.15 - 421.0 [225]
1-Butanol 298.15 - 480.0 [225]
1-Butanol 303.15 - 541.0 [225]
1-Butanol 308.15 - 640.0 [225]
1-Butanol 313.15 - 746.0 [225]
1-Butanol 318.15 - 860.0 [225]
1-Butanol 323.15 - 1030.0 [225]
1-Butanol 328.15 - 1170.0 [225]
1-Propanol 288.15 - 446.0 [225]
1-Propanol 293.15 - 515.0 [225]
1-Propanol 298.15 - 587.0 [225]
1-Propanol 303.15 - 703.0 [225]
1-Propanol 308.15 - 826.0 [225]
1-Propanol 313.15 - 959.0 [225]
1-Propanol 318.15 - 1100.0 [225]
1-Propanol 323.15 - 1310.0 [225]
1-Propanol 328.15 - 1550.0 [225]
Acetone 288.15 - 140.0 [225]
Acetone 293.15 - 160.0 [225]
Acetone 298.15 - 190.0 [225]
Acetone 303.15 - 250.0 [225]
Acetone 308.15 - 310.0 [225]
Acetone 313.15 - 372.0 [225]
Acetone 318.15 - 470.0 [225]
Acetone 323.15 - 610.0 [225]
Acetone 328.15 - 768.0 [225]
Ethanol 288.15 - 528.0 [225]
Ethanol 293.15 - 661.0 [225]
Ethanol 298.15 - 753.0 [225]
Ethanol 303.15 - 900.0 [225]
Ethanol 308.15 - 1000.0 [225]
Ethanol 313.15 - 1230.0 [225]
Ethanol 318.15 - 1410.0 [225]
Ethanol 323.15 - 1610.0 [225]
Ethanol 328.15 - 1900.0 [225]
Ethyl acetate 288.15 - 40.0 [225]
Ethyl acetate 293.15 - 59.0 [225]
Ethyl acetate 298.15 - 80.0 [225]
Ethyl acetate 303.15 - 100.0 [225]
Ethyl acetate 308.15 - 140.0 [225]
Ethyl acetate 313.15 - 190.0 [225]
Ethyl acetate 318.15 - 230.0 [225]
Ethyl acetate 323.15 - 325.0 [225]
Ethyl acetate 328.15 - 460.0 [225]
Isobutanol 288.15 - 361.0 [225]
Isobutanol 293.15 - 417.0 [225]
Isobutanol 298.15 - 475.0 [225]
Isobutanol 303.15 - 536.0 [225]
Isobutanol 308.15 - 634.0 [225]
Isobutanol 313.15 - 739.0 [225]
Isobutanol 318.15 - 850.0 [225]
Isobutanol 323.15 - 1020.0 [225]
Isobutanol 328.15 - 1150.0 [225]
Isopropanol 288.15 - 270.0 [225]
Isopropanol 293.15 - 336.0 [225]
Isopropanol 298.15 - 366.0 [225]
Isopropanol 303.15 - 429.0 [225]
Isopropanol 308.15 - 531.0 [225]
Isopropanol 313.15 - 600.0 [225]
Isopropanol 318.15 - 715.0 [225]
Isopropanol 323.15 - 880.0 [225]
Isopropanol 328.15 - 1000.0 [225]
Methanol 288.15 - 1030.0 [225]
Methanol 293.15 - 1240.0 [225]
Methanol 298.15 - 1460.0 [225]
Methanol 303.15 - 1700.0 [225]
Methanol 308.15 - 2000.0 [225]
Methanol 313.15 - 2230.0 [225]
Methanol 318.15 - 2650.0 [225]
Methanol 323.15 - 3000.0 [225]
Methanol 328.15 - 3500.0 [225]
Methyl acetate 288.15 - 74.0 [225]
Methyl acetate 293.15 - 99.0 [225]
Methyl acetate 298.15 - 120.0 [225]
Methyl acetate 303.15 - 150.0 [225]
Methyl acetate 308.15 - 200.0 [225]
Methyl acetate 313.15 - 285.0 [225]
Methyl acetate 318.15 - 372.0 [225]
Methyl acetate 323.15 - 499.0 [225]
Methyl acetate 328.15 - 713.0 [225]
Water 288.15 - 2290.0 [225]
Water 293.15 - 2600.0 [225]
Water 298.15 - 3110.0 [225]
Water 303.15 - 3660.0 [225]
Water 308.15 - 4500.0 [225]
Water 313.15 - 5110.0 [225]
Water 318.15 - 6080.0 [225]
Water 323.15 - 7480.0 [225]
Water 328.15 - 8770.0 [225]

Molecule 3D descriptors

Descriptor Value
PMI1 357.5837
PMI2 1041.0989
PMI3 1313.2659
NPR1 0.2723
NPR2 0.7928
RadiusOfGyration 2.6840
InertialShapeFactor 0.0022
Eccentricity 0.9622
Asphericity 0.3956
SpherocityIndex 0.1647
PBF 0.5752