Milrinone

Compound Structure

CAS Number: 78415-72-2

Molecular Mass: 211.22 g/mol

Formula: C12H9N3O

Smiles: Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Dimethylformamide 278.15 - 0.2212 [323]
Dimethylformamide 283.15 - 0.255 [323]
Dimethylformamide 288.15 - 0.3004 [323]
Dimethylformamide 293.15 - 0.3543 [323]
Dimethylformamide 298.15 - 0.4078 [323]
Dimethylformamide 303.15 - 0.4703 [323]
Dimethylformamide 308.15 - 0.5382 [323]
Dimethylformamide 313.15 - 0.6052 [323]
Dimethylformamide 318.15 - 0.6719 [323]
Dimethylformamide 323.15 - 0.7582 [323]
Ethanol 278.15 - 0.034 [323]
Ethanol 283.15 - 0.0415 [323]
Ethanol 288.15 - 0.049 [323]
Ethanol 293.15 - 0.0573 [323]
Ethanol 298.15 - 0.0663 [323]
Ethanol 303.15 - 0.0764 [323]
Ethanol 308.15 - 0.0864 [323]
Ethanol 313.15 - 0.0971 [323]
Ethanol 318.15 - 0.109 [323]
Ethanol 323.15 - 0.1224 [323]
Ethylene Glycol 278.15 - 0.0659 [323]
Ethylene Glycol 283.15 - 0.07968 [323]
Ethylene Glycol 288.15 - 0.0934 [323]
Ethylene Glycol 293.15 - 0.1095 [323]
Ethylene Glycol 298.15 - 0.1272 [323]
Ethylene Glycol 303.15 - 0.1463 [323]
Ethylene Glycol 308.15 - 0.1653 [323]
Ethylene Glycol 313.15 - 0.1883 [323]
Ethylene Glycol 318.15 - 0.211 [323]
Ethylene Glycol 323.15 - 0.2394 [323]
Isopropanol 278.15 - 0.0686 [323]
Isopropanol 283.15 - 0.0807 [323]
Isopropanol 288.15 - 0.0953 [323]
Isopropanol 293.15 - 0.1114 [323]
Isopropanol 298.15 - 0.1299 [323]
Isopropanol 303.15 - 0.1474 [323]
Isopropanol 308.15 - 0.1672 [323]
Isopropanol 313.15 - 0.1909 [323]
Isopropanol 318.15 - 0.2127 [323]
Isopropanol 323.15 - 0.2407 [323]
Water 278.15 - 0.0058 [323]
Water 283.15 - 0.007 [323]
Water 288.15 - 0.0083 [323]
Water 293.15 - 0.0098 [323]
Water 298.15 - 0.0114 [323]
Water 303.15 - 0.0131 [323]
Water 308.15 - 0.0148 [323]
Water 313.15 - 0.01681 [323]
Water 318.15 - 0.019 [323]
Water 323.15 - 0.0214 [323]

Molecule 3D descriptors

Descriptor Value
PMI1 471.0040
PMI2 1612.1600
PMI3 1910.7610
NPR1 0.2465
NPR2 0.8437
RadiusOfGyration 3.0748
InertialShapeFactor 0.0018
Eccentricity 0.9691
Asphericity 0.4344
SpherocityIndex 0.3061
PBF 0.5971