≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Canonical Smiles | C1C(CC1(C(=O)O)N)C2=CC=CC=C2 |
|---|---|
| IUPAC Name | 1-amino-3-phenylcyclobutane-1-carboxylic acid |
| InChIKey | UDEFVMDARGSLMK-UHFFFAOYSA-N |
| INCHI | 1S/C11H13NO2/c12-11(10(13)14)6-9(7-11)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14) |
| Isomeric SMILES | C1C(CC1(C(=O)O)N)C2=CC=CC=C2 |
| Alternate CAS | 17382-09-1 |
| PubChem CID | 50989628 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids |
| Direct Parent | L-alpha-amino acids |
| Alternative Parents | D-alpha-amino acids Aralkylamines Benzene and substituted derivatives Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | D-alpha-amino acid - L-alpha-amino acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. |
| External Descriptors | Not available |
| Molecular Weight | 191.230 g/mol |
|---|---|
| XLogP3 | -1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 191.095 Da |
| Monoisotopic Mass | 191.095 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| 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 | 1 |
