CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Hawley] Deep brown crystals; [MSDSonline] |
|---|---|
| Color/Form | PRISMS FROM ALCOHOL, WATER OR ETHER |
| Boiling Point | 283 °C |
| Melting Point | 60 °C |
| Flash Point | 90 °C |
| Solubility | SLIGHTLY SOL IN WATER, ALCOHOL; SOL IN HOT PETROLEUM ETHER; VERY SOL IN HOT ALCOHOL, DIETHYL ETHER; SOL IN ALL PROPORTIONS IN ACETONE, BENZENE |
| Density | 1.1176 AT 100 °C/4 °C |
| Vapor Pressure | 0.00623 [mmHg] |
| Kovats Retention Index | 1442.9 |
| Chemical Classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
COMPUTED DESCRIPTORS
| Molecular Weight | 167.16 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 167.058243149 g/mol |
| Monoisotopic Mass | 167.058243149 g/mol |
| Topological Polar Surface Area | 55 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 147 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |