13078-04-1
Product Name:
(-)-ANABASINE
Formula:
C10H14N2
Synonyms:
2-(3-Pyridyl)piperidine;Neonicotine
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; Darkens on exposure to air; [Hawley] Yellow liquid; [MSDSonline] |
|---|---|
| Color/Form | Colorless liquid, darkens on exposure to air |
| Boiling Point | 270-272 °C |
| Melting Point | FP: 9 °C |
| Solubility | Soluble in most organic solvents |
| Density | 1.0455 @ 20 °C/4 °C |
| Vapor Pressure | 0.00301 [mmHg] |
| LogP | log Kow = 0.97 @ pH 7.2 |
| Stability/Shelf Life | DARKENS ON EXPOSURE TO AIR |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Refractive Index | Index of refraction: 1.5430 @ 20 °C/D; specific optical rotation: -83.1 deg @ 20 °C/D |
| Dissociation Constants | pKa= 11.0 (conjugate acid) |
| Collision Cross Section | 140.18 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Chemical Classes | Biological Agents -> Plant Toxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 162.23 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 162.115698455 g/mol |
| Monoisotopic Mass | 162.115698455 g/mol |
| Topological Polar Surface Area | 24.9 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 136 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Anabasine is a pyridine alkaloid that is pyridine substituted by a piperidin-2-yl group at position 3. It has a role as a plant metabolite, a teratogenic agent and a nicotinic acetylcholine receptor agonist. It is a piperidine alkaloid and a pyridine alkaloid.