Nicotinamide

Compound Structure

CAS Number: 98-92-0

Molecular Mass: 122.12 g/mol

Formula: C6H6N2O

Smiles: NC(=O)c1cccnc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 307.25 - 36.2 [24]
1,4-Dioxane 309.95 - 39.0 [24]
1,4-Dioxane 311.55 - 41.9 [24]
1,4-Dioxane 313.35 - 44.8 [24]
1,4-Dioxane 315.45 - 47.7 [24]
1-Butanol 283.15 - 32.45 [372]
1-Butanol 288.15 - 37.81 [372]
1-Butanol 293.15 - 43.38 [372]
1-Butanol 298.15 - 49.81 [372]
1-Butanol 303.15 - 57.34 [372]
1-Butanol 308.15 - 66.65 [372]
1-Butanol 313.15 - 78.47 [372]
1-Butanol 318.15 - 92.59 [372]
1-Butanol 323.15 - 108.8 [372]
1-Propanol 283.15 - 36.86 [372]
1-Propanol 288.15 - 44.76 [372]
1-Propanol 293.15 - 54.09 [372]
1-Propanol 298.15 - 63.77 [372]
1-Propanol 303.15 - 76.13 [372]
1-Propanol 308.15 - 92.17 [372]
1-Propanol 313.15 - 110.7 [372]
1-Propanol 318.15 - 132.0 [372]
1-Propanol 323.15 - 161.1 [372]
Acetone 283.15 - 19.77 [372]
Acetone 288.15 - 22.72 [372]
Acetone 293.15 - 27.77 [372]
Acetone 298.15 - 32.11 [372]
Acetone 303.15 - 39.19 [372]
Acetone 308.15 - 47.83 [372]
Acetone 313.15 - 57.08 [372]
Acetone 318.15 - 65.37 [372]
Acetone 323.15 - 78.82 [372]
Butyl acetate 283.15 - 8.838 [372]
Butyl acetate 288.15 - 8.975 [372]
Butyl acetate 293.15 - 9.39 [372]
Butyl acetate 298.15 - 9.982 [372]
Butyl acetate 303.15 - 10.56 [372]
Butyl acetate 308.15 - 11.46 [372]
Butyl acetate 313.15 - 12.42 [372]
Butyl acetate 318.15 - 14.05 [372]
Butyl acetate 323.15 - 16.53 [372]
Ethanol 283.15 - 57.17 [372]
Ethanol 288.15 - 69.6 [372]
Ethanol 293.15 - 81.38 [372]
Ethanol 298.15 - 96.83 [372]
Ethanol 303.15 - 117.4 [372]
Ethanol 308.15 - 140.4 [372]
Ethanol 313.15 - 169.7 [372]
Ethanol 318.15 - 204.3 [372]
Ethanol 323.15 - 249.4 [372]
Ethyl acetate 283.15 - 10.16 [372]
Ethyl acetate 288.15 - 11.04 [372]
Ethyl acetate 293.15 - 12.62 [372]
Ethyl acetate 298.15 - 14.05 [372]
Ethyl acetate 303.15 - 16.09 [372]
Ethyl acetate 308.15 - 17.95 [372]
Ethyl acetate 313.15 - 20.17 [372]
Ethyl acetate 318.15 - 22.32 [372]
Ethyl acetate 323.15 - 26.04 [372]
Isobutanol 283.15 - 30.23 [372]
Isobutanol 288.15 - 33.7 [372]
Isobutanol 293.15 - 39.74 [372]
Isobutanol 298.15 - 47.0 [372]
Isobutanol 303.15 - 53.46 [372]
Isobutanol 308.15 - 62.26 [372]
Isobutanol 313.15 - 74.58 [372]
Isobutanol 318.15 - 87.73 [372]
Isobutanol 323.15 - 104.6 [372]
Isopropanol 283.15 - 30.73 [372]
Isopropanol 288.15 - 37.76 [372]
Isopropanol 293.15 - 46.07 [372]
Isopropanol 298.15 - 53.75 [372]
Isopropanol 303.15 - 65.05 [372]
Isopropanol 308.15 - 79.23 [372]
Isopropanol 313.15 - 94.87 [372]
Isopropanol 318.15 - 112.0 [372]
Isopropanol 323.15 - 134.4 [372]
Methanol 283.15 - 174.6 [372]
Methanol 288.15 - 208.3 [372]
Methanol 293.15 - 243.8 [372]
Methanol 298.15 - 287.7 [372]
Methanol 303.15 - 338.2 [372]
Methanol 308.15 - 407.1 [372]
Methanol 313.15 - 484.3 [372]
Methanol 318.15 - 580.2 [372]
Methanol 323.15 - 689.4 [372]
Methyl acetate 283.15 - 14.63 [372]
Methyl acetate 288.15 - 15.87 [372]
Methyl acetate 293.15 - 18.29 [372]
Methyl acetate 298.15 - 20.97 [372]
Methyl acetate 303.15 - 23.98 [372]
Methyl acetate 308.15 - 27.45 [372]
Methyl acetate 313.15 - 31.95 [372]
Methyl acetate 318.15 - 35.73 [372]
Methyl acetate 323.15 - 41.3 [372]

Molecule 3D descriptors

Descriptor Value
PMI1 129.3722
PMI2 411.5383
PMI3 532.4497
NPR1 0.2430
NPR2 0.7729
RadiusOfGyration 2.0963
InertialShapeFactor 0.0060
Eccentricity 0.9700
Asphericity 0.4456
SpherocityIndex 0.0328
PBF 0.1953