CHEMICAL AND PHYSICAL PROPERTIES
| Melting Point | 306 - 309 °C |
|---|---|
| Solubility | Soluble in water, and almost insoluble in 100% alcohol, ether, chloroform, and benzene. |
COMPUTED DESCRIPTORS
| Molecular Weight | 127.14 g/mol |
|---|---|
| XLogP3 | -2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 127.063328530 g/mol |
| Monoisotopic Mass | 127.063328530 g/mol |
| Topological Polar Surface Area | 49.3 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 151 |
| 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
Guvacine is a alpha,beta-unsaturated monocarboxylic acid that is nicotinic acid which has been hydrogenated at the 1-2 and 5-6 positions of the pyridine ring. It has a role as a plant metabolite and a GABA reuptake inhibitor. It is a beta-amino acid, a tetrahydropyridine, an alpha,beta-unsaturated monocarboxylic acid, a pyridine alkaloid and a secondary amino compound.