≥95% 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.
| Canonical Smiles | CC(C)(C)OC(=O)N1CCCC1COC2=NC=C(C=N2)Cl |
|---|---|
| IUPAC Name | tert-butyl 2-[(5-chloropyrimidin-2-yl)oxymethyl]pyrrolidine-1-carboxylate |
| InChIKey | MFIHNSGPZRXYCN-UHFFFAOYSA-N |
| INCHI | 1S/C14H20ClN3O3/c1-14(2,3)21-13(19)18-6-4-5-11(18)9-20-12-16-7-10(15)8-17-12/h7-8,11H,4-6,9H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCCC1COC2=NC=C(C=N2)Cl |
| PubChem CID | 60137929 |
| Molecular Weight | 313.78 |
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 | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Pyrrolidine carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine carboxylic acids |
| Alternative Parents | Halopyrimidines Alkyl aryl ethers Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrrolidine carboxylic acid - Halopyrimidine - Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Azacycle - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 313.780 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 313.119 Da |
| Monoisotopic Mass | 313.119 Da |
| Topological Polar Surface Area | 64.599 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| 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 |
