1M in H₂O for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| 정식 스마일 | CCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C |
|---|---|
| IUPAC Name | octyl 2-(trimethylazaniumyl)ethyl phosphate |
| InChIKey | MDNHUELOANFCGT-UHFFFAOYSA-N |
| INCHI | 1S/C13H30NO4P/c1-5-6-7-8-9-10-12-17-19(15,16)18-13-11-14(2,3)4/h5-13H2,1-4H3 |
| 이성체 SMILES | CCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C |
| 분자량 | 295.36 |
| Reaxy-Rn | 3966937 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3966937&ln= |
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 nitrogen compounds |
| 분류 | Organonitrogen compounds |
| Subclass | Quaternary ammonium salts |
| Intermediate Tree Nodes | Cholines |
| Direct Parent | Phosphocholines |
| Alternative Parents | Dialkyl phosphates Tetraalkylammonium salts Organopnictogen compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Phosphocholine - Dialkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Tetraalkylammonium salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Amine - Aliphatic acyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as phosphocholines. These are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative. |
| External Descriptors | Not available |
| 발화점(°F) | Not applicable |
|---|---|
| 발화점(°C) | Not applicable |
| 분자량 | 295.360 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Exact Mass | 295.191 Da |
| Monoisotopic Mass | 295.191 Da |
| Topological Polar Surface Area | 58.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 258.000 |
| 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 |
