65-31-6
Product Name:
Nicotine ditartrate
Formula:
C18H26N2O12
Synonyms:
(?)-1-Methyl-2-(3-pyridyl)pyrrolidine (+)-bitartrate salt;(?)-Nicotine ditartrate;(?)-Nicotine hydrogen tartrate salt;(--)-Nicotine, Ditartrate - CAS 65-31-6 - Calbiochem;(S)-3-(1-Methyl-2-pyrrolindinyl)pyridine, Di- d-tartrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [ICSC] White powder; [Sigma-Aldrich MSDS] |
|---|---|
| Color/Form | White plates |
| Melting Point | 89 °C |
| Solubility | Sol in ether /Dihydrate/ |
| Autoignition Temperature | 244 °C |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides and carbon monoxide/. |
| Collision Cross Section | 135.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Crystals; very soluble in water or alcohol. Specific optical rotation: +26 deg at 20 °C/D (c= 10); mp: 90 °C /Dihydrate/ |
| Chemical Classes | Biological Agents -> Plant Toxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P262:Do not get in eyes, on skin, or on clothing. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 462.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 7 |
| Exact Mass | 462.14857427 g/mol |
| Monoisotopic Mass | 462.14857427 g/mol |
| Topological Polar Surface Area | 246 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 281 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |