≥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.
| Canonical Smiles | C1C(CC1NCC2=CC=CC=C2)C(=O)O.C(=O)(C(F)(F)F)O |
|---|---|
| IUPAC Name | 3-(benzylamino)cyclobutane-1-carboxylic acid;2,2,2-trifluoroacetic acid |
| InChIKey | HMMPJTLENADFTA-UHFFFAOYSA-N |
| INCHI | 1S/C12H15NO2.C2HF3O2/c14-12(15)10-6-11(7-10)13-8-9-4-2-1-3-5-9;3-2(4,5)1(6)7/h1-5,10-11,13H,6-8H2,(H,14,15);(H,6,7) |
| Isomeric SMILES | C1C(CC1NCC2=CC=CC=C2)C(=O)O.C(=O)(C(F)(F)F)O |
| PubChem CID | 91663846 |
| Molecular Weight | 319.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Benzylamines Aralkylamines Quaternary ammonium salts Alpha-halocarboxylic acids Carboxylic acid salts Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic cations |
| Molecular Framework | Not available |
| Substituents | Benzylamine - Phenylmethylamine - Aralkylamine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Alkyl fluoride - Alkyl halide - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic 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 | 319.280 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 319.103 Da |
| Monoisotopic Mass | 319.103 Da |
| Topological Polar Surface Area | 86.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 301.000 |
| 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 |
