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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1COCCC1(C(=O)O)N.Cl |
|---|---|
| IUPAC Name | 4-aminooxane-4-carboxylic acid;hydrochloride |
| InChIKey | ASFXLCNDBDHZGC-UHFFFAOYSA-N |
| INCHI | 1S/C6H11NO3.ClH/c7-6(5(8)9)1-3-10-4-2-6;/h1-4,7H2,(H,8,9);1H |
| Isomeric SMILES | C1COCCC1(C(=O)O)N.Cl |
| Alternate CAS | 217299-03-1 |
| PubChem CID | 2734400 |
| Molecular Weight | 181.62 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Sugar acids and derivatives - Sugar amino acids and derivatives |
| Direct Parent | Pyranoid amino acids and derivatives |
| Alternative Parents | L-alpha-amino acids D-alpha-amino acids Oxanes Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyranoid amino acid - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - L-alpha-amino acid - Oxane - Amino acid - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary aliphatic amine - Organonitrogen compound - Primary amine - Organic oxide - Carbonyl group - Hydrochloride - Amine - Organopnictogen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities. |
| External Descriptors | Not available |
| Molecular Weight | 181.620 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 181.051 Da |
| Monoisotopic Mass | 181.051 Da |
| Topological Polar Surface Area | 72.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 140.000 |
| 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 | 2 |