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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.
| Sonrisas canónicas | COC(=O)C12CC(C1)(C2)CN.Cl |
|---|---|
| IUPAC Name | methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride |
| InChIKey | HVQDRPIJUBUWEO-UHFFFAOYSA-N |
| INCHI | 1S/C8H13NO2.ClH/c1-11-6(10)8-2-7(3-8,4-8)5-9;/h2-5,9H2,1H3;1H |
| Isómeros SMILES | COC(=O)C12CC(C1)(C2)CN.Cl |
| CAS alternativo | 1638761-28-0 |
| PubChem CID | 118997538 |
| Peso molecular | 191.65 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Fatty acid ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aliphatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| External Descriptors | Not available |
| Peso molecular | 191.650 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 191.071 Da |
| Monoisotopic Mass | 191.071 Da |
| Topological Polar Surface Area | 52.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| 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 |