≥97% 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 | COC(=O)C1CC2=C(CN1)NC=N2.Cl.Cl |
|---|---|
| IUPAC Name | methyl (6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate;dihydrochloride |
| InChIKey | VZGPIWGYHZWSSY-ILKKLZGPSA-N |
| INCHI | 1S/C8H11N3O2.2ClH/c1-13-8(12)6-2-5-7(3-9-6)11-4-10-5;;/h4,6,9H,2-3H2,1H3,(H,10,11);2*1H/t6-;;/m0../s1 |
| Isomeric SMILES | COC(=O)[C@@H]1CC2=C(CN1)NC=N2.Cl.Cl |
| PubChem CID | 14403671 |
| Molecular Weight | 254.11 |
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 - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Imidazopyridines Imidazopiperidines Aralkylamines Methyl esters Imidazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Imidazopiperidine - Imidazopyridine - Aralkylamine - Azole - Imidazole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Hydrochloride - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 254.110 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 253.038 Da |
| Monoisotopic Mass | 253.038 Da |
| Topological Polar Surface Area | 67.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 210.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 3 |
![(S)-Methyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate dihydrochloride - ≥97% , CAS No.114786-39-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)