CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Crystals; [HSDB] |
|---|---|
| Color/Form | Crystals from heptane |
| Boiling Point | 85 to 90 °C @ 0.8 mm Hg |
| Melting Point | 40-42 °C |
| Vapor Pressure | 0.00945 [mmHg] |
| LogP | log Kow = 2.71 @ pH 7.5 (as MPP+) |
| Chemical Classes | Nitrogen Compounds -> Pyridines |
COMPUTED DESCRIPTORS
| Molecular Weight | 173.25 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 173.120449483 g/mol |
| Monoisotopic Mass | 173.120449483 g/mol |
| Topological Polar Surface Area | 3.2 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 189 |
| 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 |
PRODUCT INTRODUCTION
description
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine is a tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4. It has a role as a neurotoxin. It is a member of methylpyridines, a phenylpyridine and a tetrahydropyridine.