for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| ALogP | 6.6 |
|---|
| カノニカル・スマイル | CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C |
|---|---|
| IUPAC Name | trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium |
| InChIKey | RWZVPVOZTJJMNU-UHFFFAOYSA-N |
| INCHI | 1S/C32H52N4O4/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8/h17-22,25-26H,9-16,23-24H2,1-8H3/q+2 |
| 異性体SMILES | CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C |
| PubChem CID | 5966 |
| 分子量 | 556.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 分類 | Benzene and substituted derivatives |
| Subclass | Phenoxy compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxy compounds |
| Alternative Parents | Aniline and substituted anilines Quaternary ammonium salts Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Aniline or substituted anilines - Quaternary ammonium salt - Carbamic acid ester - Carbonic acid derivative - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic salt - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group. |
| External Descriptors | carbamate ester - quaternary ammonium ion |
| 分子量 | 556.800 g/mol |
|---|---|
| XLogP3 | 6.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 17 |
| Exact Mass | 556.399 Da |
| Monoisotopic Mass | 556.399 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 2 |
| Complexity | 686.000 |
| 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 | 1 |
