HuagongsheHuagongshe Chemistry Print Report · For research reference only
Nicotine hydrochloride
Nicotine hydrochloride · Hydrochloric acid nicotine

Identifiers & Physical Properties
| CAS No. | 21361-93-3 |
|---|---|
| Molecular formula | C10H15ClN2 |
| Average molar mass | 198.69 g/mol |
| Monoisotopic mass | 198.0923762 g/mol |
| SMILES | CN1CCC[C@H]1c1cccnc1.Cl |
| InChIKey | HDJBTCAJIMNXEW-PPHPATTJSA-N |
| PubChem CID | 5284430 |
| ChEMBL | CHEMBL225057 |
| DTXSID | DTXSID40943922 |
Chemical & Physical Properties
| Topological polar surface area | 16.1 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 147 |
| Density | DENSITY 1.0337 /D-FORM/ |
| Color/Form | Colorless oil |
| Solubility | All salts are soluble in water, alcohol, and ether /Nicotine salts/ |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride, nitrogen oxides and carbon monoxide./ |
| Optical Rotation | Crystals. Delliquescent. Specific optical rotation = +104 deg at 20 °C/D ( p = 10) /l-Form/ |
| Physical Description | Nicotine hydrochloride appears as a white crystalline solid. Combustible, although ignition may be difficult. Toxic by inhalation (dust, etc.) and skin absorption. Produces toxic oxides of nitrogen during combustion. |
| FDA UNII | ELZ2L53YNE |
| EPA Substance Registry System | Pyridine, 3-[(2S)-1-methyl-2-pyrrolidinyl]-, hydrochloride (2820-51-1) |
| UN transport number | UN 1656 6.1/PG II/III (NICOTINE HYDROCHLORIDE, LIQUID or SOLUTION) |
| Hazard class | 6.1(a) |
| Packing group | II |
| Hazardous substances data | 2820-51-1(Hazardous Substances Data) |
| Toxicity | guinea pig,LDLo,intraperitoneal,32mg/kg (32mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION,Australian Journal of Experimental Biology and Medical Science. Vol. 25, Pg. 83, 1947. |
Safety & Regulations
| DOT label | Poison |
|---|---|
| Fire hazards | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. |
| Health hazards | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin. |
| DOT ID and guide | 1656 1513444 151 |
| Reactive group | Amines, Phosphines, and Pyridines |
| RCRA requirements | P075As stipulated in 40 CFR 261.33, when nicotine and salts, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to federal and/or state hazardous waste regulations. Also defined as a hazardous waste is any container or inner liner used to hold this waste or any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5(e)). /Nicotine and salts/ |
| Reactivity Profile | The chloride salt of nicotine-An alkaloid produced from tobacco. Colorless, oily liquid, combustible, highly toxic. When heated to decomposition it emits very toxic fumes of carbon monoxide and oxides of nitrogen [Lewis, 3rd ed., 1993, p. 919]. |
| DOT Emergency Guidelines | /GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Health: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Nicotine hydrochlorideNicotine hydrochloride, liquidNicotine hydrochloride, solidNicotine hydrochloride, solution//GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Fire or Explosion: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways. /Nicotine hydrochloride |
Applications & Uses
General Description
A white crystalline solid. Combustible, although ignition may be difficult. Toxic by inhalation (dust, etc.) and skin absorption. Produces toxic oxides of nitrogen during combustion.