Butyronitrile
CAS Number: 109-74-0
Molecular Mass: 69.11 g/mol
Formula: C4H7N
Smiles: CCCC#N
Melting point: -112.6 °C
Boiling point: 117.5 °C
Density: 0.8091 g/cm3
Dipole moment: 3.5 D
Refractive index: 1.38385
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 47.8209 |
| PMI2 | 162.3868 |
| PMI3 | 190.7974 |
| NPR1 | 0.2506 |
| NPR2 | 0.8511 |
| RadiusOfGyration | 1.7033 |
| InertialShapeFactor | 0.0178 |
| Eccentricity | 0.9681 |
| Asphericity | 0.4275 |
| SpherocityIndex | 0.4415 |
| PBF | 0.4997 |