≥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 | B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)N.Cl |
|---|---|
| IUPAC Name | (2S)-2-amino-N-[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]-3-phenylpropanamide;hydrochloride |
| InChIKey | BYRWVECJDRGBAH-UMPWXGAWSA-N |
| INCHI | 1S/C24H37BN2O3.ClH/c1-15(2)11-21(27-22(28)18(26)12-16-9-7-6-8-10-16)25-29-20-14-17-13-19(23(17,3)4)24(20,5)30-25;/h6-10,15,17-21H,11-14,26H2,1-5H3,(H,27,28);1H/t17-,18-,19-,20+,21-,24-;/m0./s1 |
| Isomeric SMILES | B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)N.Cl |
| PubChem CID | 86346386 |
| Molecular Weight | 448.83 |
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 |
| Direct Parent | Phenylalanine and derivatives |
| Alternative Parents | Alpha amino acid amides Amphetamines and derivatives Aromatic monoterpenoids Bicyclic monoterpenoids Aralkylamines Fatty amides Dioxaborolanes Boronic acid esters Secondary carboxylic acid amides Organic metalloid salts Oxacyclic compounds Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Monoalkylboranes Organic oxides Monoalkylamines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Aromatic monoterpenoid - Pinane monoterpenoid - Monoterpenoid - Nopinane monoterpenoid - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - 1,3,2-dioxaborolane - Boronic acid ester - Secondary carboxylic acid amide - Carboxamide group - Boronic acid derivative - Organic metalloid salt - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic metalloid moeity - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrochloride - Hydrocarbon derivative - Organic oxide - Alkylborane - Monoalkylborane - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Molecular Weight | 448.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 448.266 Da |
| Monoisotopic Mass | 448.266 Da |
| Topological Polar Surface Area | 73.600 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 636.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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 |
