Determine the necessary mass, volume, or concentration for preparing a solution.
≥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.
| Pubchem Sid | 504761939 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761939 |
| Sonrisas canónicas | C1COC(CN1CC2=CC=CC=C2)C(=O)O.Cl |
| IUPAC Name | 4-benzylmorpholine-2-carboxylic acid;hydrochloride |
| InChIKey | CEDXMALCJZSQHA-UHFFFAOYSA-N |
| INCHI | 1S/C12H15NO3.ClH/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10;/h1-5,11H,6-9H2,(H,14,15);1H |
| Isómeros SMILES | C1COC(CN1CC2=CC=CC=C2)C(=O)O.Cl |
| Peso molecular | 257.7 |
| Reaxy-Rn | 14403086 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14403086&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 | Organoheterocyclic compounds |
| Clase | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Morpholine carboxylic acids and derivatives |
| Direct Parent | Morpholine carboxylic acids |
| Alternative Parents | Phenylmethylamines Benzylamines Aralkylamines Trialkylamines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Morpholine-2-carboxylic acid - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Hydrochloride - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 244-245°C |
|---|---|
| Peso molecular | 257.709 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 257.082 Da |
| Monoisotopic Mass | 257.082 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 238.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |