for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Ion-pair suitable for a nitrate-selective field-effect transistor membrane.
| Canonical Smiles | CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[N+](=O)([O-])[O-] |
|---|---|
| IUPAC Name | tetradodecylazanium;nitrate |
| InChIKey | AHQMUYHFUYRUJV-UHFFFAOYSA-N |
| INCHI | 1S/C48H100N.NO3/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;2-1(3)4/h5-48H2,1-4H3;/q+1;-1 |
| Isomeric SMILES | CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[N+](=O)([O-])[O-] |
| PubChem CID | 3085281 |
| Molecular Weight | 753.32 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organic oxoanionic compounds |
| Subclass | Organic nitrates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic nitrates |
| Alternative Parents | Tetraalkylammonium salts Organic nitro compounds Organic nitric acids Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Organic nitrate - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitric acid - Organic nitric acid or derivatives - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organic cation - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic nitrates. These are organic compounds containing the nitrate oxoanion, with the formula NO3-. |
| External Descriptors | Not available |
| Molecular Weight | 753.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 44 |
| Exact Mass | 752.773 Da |
| Monoisotopic Mass | 752.773 Da |
| Topological Polar Surface Area | 62.900 Ų |
| Heavy Atom Count | 53 |
| Formal Charge | 0 |
| Complexity | 487.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
