≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 | COC(=O)C1=CC=CC(=C1)CN.Cl |
|---|---|
| IUPAC Name | methyl 3-(aminomethyl)benzoate;hydrochloride |
| InChIKey | UOWRPTFJISFGPI-UHFFFAOYSA-N |
| INCHI | 1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-3-7(5-8)6-10;/h2-5H,6,10H2,1H3;1H |
| Isómeros SMILES | COC(=O)C1=CC=CC(=C1)CN.Cl |
| CAS alternativo | 93071-65-9 |
| Peso molecular | 201.7 |
| Reaxy-Rn | 8931276 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8931276&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 H2419223 | Certificate of Analysis | May 08, 2024 | M182190 |
| H2419224 | Certificate of Analysis | May 08, 2024 | M182190 |
| H2419225 | Certificate of Analysis | May 08, 2024 | M182190 |
| H2419226 | Certificate of Analysis | May 08, 2024 | M182190 |
| H2419227 | Certificate of Analysis | May 08, 2024 | M182190 |
| H2419228 | Certificate of Analysis | May 08, 2024 | M182190 |
| H2419229 | Certificate of Analysis | May 08, 2024 | M182190 |
| H2419230 | Certificate of Analysis | May 08, 2024 | M182190 |
| Punto de fusión (°C) | 177-179℃ |
|---|---|
| Peso molecular | 201.650 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 201.056 Da |
| Monoisotopic Mass | 201.056 Da |
| Topological Polar Surface Area | 52.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| 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 |
