Diphenhydramine hydrochloride

Compound Structure

CAS Number: 147-24-0

Molecular Mass: 291.8 g/mol

Formula: C17H22ClNO

Smiles: CN(C)CCOC(c1ccccc1)c1ccccc1.Cl

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Acetone 278.15 - 6.135 [91]
Acetone 283.15 - 7.792 [91]
Acetone 288.15 - 8.942 [91]
Acetone 293.15 - 10.31 [91]
Acetone 298.15 - 11.94 [91]
Acetone 303.15 - 13.83 [91]
Acetone 308.15 - 15.92 [91]
Acetone 313.15 - 18.91 [91]
Acetone 318.15 - 21.2 [91]
Acetone 323.15 - 25.31 [91]
Ethanol 278.15 - 112.8 [91]
Ethanol 283.15 - 154.1 [91]
Ethanol 288.15 - 205.0 [91]
Ethanol 293.15 - 266.0 [91]
Ethanol 298.15 - 336.2 [91]
Ethanol 303.15 - 415.0 [91]
Ethanol 308.15 - 500.7 [91]
Ethanol 313.15 - 591.6 [91]
Ethanol 318.15 - 665.5 [91]
Ethanol 323.15 - 769.4 [91]
Ethyl acetate 278.15 - 0.1509 [91]
Ethyl acetate 283.15 - 0.2513 [91]
Ethyl acetate 288.15 - 0.4234 [91]
Ethyl acetate 293.15 - 0.6742 [91]
Ethyl acetate 298.15 - 0.9156 [91]
Ethyl acetate 303.15 - 1.269 [91]
Ethyl acetate 308.15 - 1.766 [91]
Ethyl acetate 313.15 - 2.355 [91]
Ethyl acetate 318.15 - 2.842 [91]
Ethyl acetate 323.15 - 3.607 [91]
Methanol 278.15 - 1019.0 [91]
Methanol 283.15 - 1167.0 [91]
Methanol 288.15 - 1249.0 [91]
Methanol 293.15 - 1331.0 [91]
Methanol 298.15 - 1384.0 [91]
Methanol 303.15 - 1427.0 [91]
Methanol 308.15 - 1480.0 [91]
Methanol 313.15 - 1540.0 [91]
Methanol 318.15 - 1650.0 [91]
Methanol 323.15 - 1682.0 [91]

Molecule 3D descriptors

Descriptor Value
PMI1 895.1997
PMI2 1875.8183
PMI3 2320.5677
NPR1 0.3858
NPR2 0.8083
RadiusOfGyration 2.9536
InertialShapeFactor 0.0009
Eccentricity 0.9226
Asphericity 0.2462
SpherocityIndex 0.3921
PBF 1.0671