CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Light yellow powder; [Sigma-Aldrich MSDS] |
|---|---|
| Kovats Retention Index | 2148 2158 2170 |
| Chemical Classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
COMPUTED DESCRIPTORS
| Molecular Weight | 221.29 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 221.141578849 g/mol |
| Monoisotopic Mass | 221.141578849 g/mol |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 198 |
| 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 |