Urea

Urea is a naturally occurring metabolic product and an important component of the skin's natural moisturizing factor. It is widely used in topical pharmaceutical formulations to treat dry skin, xerosis, ichthyosis, hyperkeratosis, and other dermatological conditions. At low concentrations, urea acts primarily as a humectant, increasing water retention in the stratum corneum. At higher concentrations, it exhibits keratolytic activity, softening and facilitating the removal of thickened skin and nails. Urea has also been used as an osmotic agent and in selected treatments for hyponatremia

Compound Structure

CAS Number: 57-13-6

Molecular Mass: 60.056 g/mol

Formula: CH4N2O

Smiles: NC(N)=O

Synonymes:

Bioactivity: Humectant, skin-conditioning agent, and concentration-dependent keratolytic; osmotic agent

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 293.15 - 10.87 [164]
1-Butanol 303.15 - 13.87 [164]
1-Butanol 318.15 - 19.27 [164]
1-Butanol 333.15 - 27.13 [164]
1-Butanol 343.15 - 33.18 [164]
1-Pentanol 293.15 - 7.709 [164]
1-Pentanol 303.15 - 10.25 [164]
1-Pentanol 318.15 - 13.4 [164]
1-Pentanol 333.15 - 19.63 [164]
1-Pentanol 343.15 - 23.47 [164]
1-Propanol 293.15 - 20.25 [164]
1-Propanol 303.15 - 33.3 [164]
1-Propanol 318.15 - 31.26 [164]
1-Propanol 333.15 - 59.93 [164]
1-Propanol 343.15 - 57.73 [164]
Ethanol 293.15 - 42.33 [164]
Ethanol 303.15 - 59.02 [164]
Ethanol 318.15 - 95.84 [164]
Ethanol 333.15 - 142.9 [164]
Ethanol 343.15 - 179.0 [164]
Isoamyl Alcohol 293.15 - 8.161 [164]
Isoamyl Alcohol 303.15 - 8.986 [164]
Isoamyl Alcohol 318.15 - 14.4 [164]
Isoamyl Alcohol 333.15 - 20.25 [164]
Isoamyl Alcohol 343.15 - 24.79 [164]
Isobutanol 293.15 - 11.2 [164]
Isobutanol 303.15 - 15.96 [164]
Isobutanol 318.15 - 19.74 [164]
Isobutanol 333.15 - 30.72 [164]
Isobutanol 343.15 - 34.51 [164]
Isopropanol 293.15 - 20.38 [164]
Isopropanol 303.15 - 24.51 [164]
Isopropanol 318.15 - 33.88 [164]
Isopropanol 333.15 - 46.2 [164]
Isopropanol 343.15 - 53.16 [164]
Methanol 293.15 - 136.8 [164]
Methanol 303.15 - 169.7 [164]
Methanol 318.15 - 284.6 [164]
Methanol 333.15 - 410.6 [164]
Methanol 343.15 - 505.7 [164]
Water 293.15 - 1122.3 [164]
Water 303.15 - 1384.9 [164]
Water 318.15 - 1859.2 [164]
Water 333.15 - 2281.5 [164]
Water 343.15 - 2836.5 [164]

Molecule 3D descriptors

Descriptor Value
PMI1 44.6840
PMI2 46.3017
PMI3 89.7848
NPR1 0.4977
NPR2 0.5157
RadiusOfGyration 1.2268
InertialShapeFactor 0.0115
Eccentricity 0.8674
Asphericity 0.2404
SpherocityIndex 0.0645
PBF 0.1760