for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
A β-Phosphorylated pyrrolidine.
| Canonical Smiles | CCOP(=O)(C1(CCCN1)C)OCC |
|---|---|
| IUPAC Name | 2-diethoxyphosphoryl-2-methylpyrrolidine |
| InChIKey | UJLWZCRCTUPTKJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H20NO3P/c1-4-12-14(11,13-5-2)9(3)7-6-8-10-9/h10H,4-8H2,1-3H3 |
| Isomeric SMILES | CCOP(=O)(C1(CCCN1)C)OCC |
| Molecular Weight | 221.23 |
| Reaxy-Rn | 7023301 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7023301&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic phosphonic acids and derivatives |
| Subclass | Phosphonic acid diesters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dialkyl alkylphosphonates |
| Alternative Parents | Phosphonic acid esters Pyrrolidines Secondary amines Azacyclic compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Dialkyl alkylphosphonate - Phosphonic acid ester - Pyrrolidine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group. |
| External Descriptors | Not available |
| Solubility | Soluble in Dichloromethane, Ether, Ethyl Acetate and Methanol |
|---|---|
| Molecular Weight | 221.230 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 221.118 Da |
| Monoisotopic Mass | 221.118 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 224.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
