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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.
| Canonical Smiles | C1CC(OC1)CNC(=O)COC2=CC=CC=C2CN.Cl |
|---|---|
| IUPAC Name | 2-[2-(aminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide;hydrochloride |
| InChIKey | ZXZDEOLJTBGYJD-UHFFFAOYSA-N |
| INCHI | 1S/C14H20N2O3.ClH/c15-8-11-4-1-2-6-13(11)19-10-14(17)16-9-12-5-3-7-18-12;/h1-2,4,6,12H,3,5,7-10,15H2,(H,16,17);1H |
| Isomeric SMILES | C1CC(OC1)CNC(=O)COC2=CC=CC=C2CN.Cl |
| PubChem CID | 42937473 |
| Molecular Weight | 300.78 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Phenoxy compounds Phenol ethers Benzylamines Aralkylamines Alkyl aryl ethers Oxolanes Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Oxolane - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrochloride - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Primary amine - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| External Descriptors | Not available |
| Molecular Weight | 300.780 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 300.124 Da |
| Monoisotopic Mass | 300.124 Da |
| Topological Polar Surface Area | 73.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 286.000 |
| 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 |