≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CCOC(=O)C1(CCC(CC1)N)C(=O)OCC |
|---|---|
| IUPAC Name | diethyl 4-aminocyclohexane-1,1-dicarboxylate |
| InChIKey | DHILVVQQOQVFGV-UHFFFAOYSA-N |
| INCHI | 1S/C12H21NO4/c1-3-16-10(14)12(11(15)17-4-2)7-5-9(13)6-8-12/h9H,3-8,13H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C1(CCC(CC1)N)C(=O)OCC |
| Alternate CAS | 57899-68-0 |
| PubChem CID | 13889850 |
| Molecular Weight | 243.3 |
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 | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Delta amino acids and derivatives |
| Alternative Parents | Cyclohexylamines Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Delta amino acid or derivatives - Cyclohexylamine - Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom. |
| External Descriptors | Not available |
| Molecular Weight | 243.300 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 243.147 Da |
| Monoisotopic Mass | 243.147 Da |
| Topological Polar Surface Area | 78.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 262.000 |
| 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 |
