≥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.
| Sonrisas canónicas | CC(C)(C)OC(=O)N1CCCC1COC(=O)C2=CC(=CC=C2)N |
|---|---|
| IUPAC Name | tert-butyl 2-[(3-aminobenzoyl)oxymethyl]pyrrolidine-1-carboxylate |
| InChIKey | FHPIOAMZSNTQTI-UHFFFAOYSA-N |
| INCHI | 1S/C17H24N2O4/c1-17(2,3)23-16(21)19-9-5-8-14(19)11-22-15(20)12-6-4-7-13(18)10-12/h4,6-7,10,14H,5,8-9,11,18H2,1-3H3 |
| Isómeros SMILES | CC(C)(C)OC(=O)N1CCCC1COC(=O)C2=CC(=CC=C2)N |
| PubChem CID | 47002941 |
| Peso molecular | 320.38 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Aminobenzoic acids and derivatives Pyrrolidine carboxylic acids Benzoyl derivatives Aniline and substituted anilines Carbamate esters Tertiary amines Carboxylic acid esters Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aniline or substituted anilines - Carbamic acid ester - Pyrrolidine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
| Peso molecular | 320.400 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 320.174 Da |
| Monoisotopic Mass | 320.174 Da |
| Topological Polar Surface Area | 81.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 433.000 |
| 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 |
![Tert-butyl 2-[(3-aminobenzoyloxy)methyl]pyrrolidine-1-carboxylate - ≥95% , CAS No.1235440-57-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)