Aniline
CAS Number: 62-53-3
Molecular Mass: 93.13 g/mol
Formula: C6H7N
Smiles: Nc1ccccc1
Melting point: 543.1 °C
Boiling point: 295.3 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.79315
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 89.8458 |
| PMI2 | 194.6053 |
| PMI3 | 283.9145 |
| NPR1 | 0.3165 |
| NPR2 | 0.6854 |
| RadiusOfGyration | 1.7469 |
| InertialShapeFactor | 0.0076 |
| Eccentricity | 0.9486 |
| Asphericity | 0.3505 |
| SpherocityIndex | 0.0049 |
| PBF | 0.0663 |