Gabapentin

Compound Structure

CAS Number: 60142-96-3

Molecular Mass: 171.24 g/mol

Formula: C9H17NO2

Smiles: NCC1(CC(=O)O)CCCCC1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Ethanol 283.15 - 3.978 [100]
Ethanol 288.15 - 4.518 [100]
Ethanol 293.15 - 5.0 [100]
Ethanol 298.15 - 5.47 [100]
Ethanol 303.15 - 6.516 [100]
Ethanol 308.15 - 7.03 [100]
Ethanol 313.15 - 7.684 [100]
Ethanol 318.15 - 8.6 [100]
Ethanol 323.15 - 9.364 [100]
Methanol 283.15 - 30.93 [100]
Methanol 288.15 - 34.08 [100]
Methanol 293.15 - 37.44 [100]
Methanol 298.15 - 40.01 [100]
Methanol 303.15 - 45.01 [100]
Methanol 308.15 - 48.94 [100]
Methanol 313.15 - 53.29 [100]
Methanol 318.15 - 58.36 [100]
Methanol 323.15 - 66.18 [100]

Molecule 3D descriptors

Descriptor Value
PMI1 369.0457
PMI2 820.2986
PMI3 906.2502
NPR1 0.4072
NPR2 0.9052
RadiusOfGyration 2.4736
InertialShapeFactor 0.0025
Eccentricity 0.9133
Asphericity 0.2275
SpherocityIndex 0.5660
PBF 0.9713