≥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.
| Pubchem Sid | 504768100 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768100 |
| Canonical Smiles | CC(C)(C)OC(=O)N(C)C(CC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2 |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid |
| InChIKey | MFORGORUOHHLHW-YDALLXLXSA-N |
| INCHI | 1S/C15H21NO4.C12H23N/c1-15(2,3)20-14(19)16(4)12(13(17)18)10-11-8-6-5-7-9-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,12H,10H2,1-4H3,(H,17,18);11-13H,1-10H2/t12-;/m0./s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2 |
| WGK Germany | 3 |
| PubChem CID | 16211321 |
| Molecular Weight | 460.65 |
| Beilstein | 6310237 |
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 | Phenylpropanoic acids Amphetamines and derivatives Cyclohexylamines Quaternary ammonium salts Carbamate esters Tertiary amines Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations |
| Molecular Framework | Not available |
| Substituents | Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Cyclohexylamine - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Quaternary ammonium salt - Carboxylic acid salt - Amino acid - Tertiary amine - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J1812056 | Certificate of Analysis | May 20, 2026 | B117116 |
| I1402080 | Certificate of Analysis | Mar 20, 2026 | B117116 |
| I1309043 | Certificate of Analysis | Jun 12, 2025 | B117116 |
| J1812055 | Certificate of Analysis | Aug 11, 2022 | B117116 |
| Melt Point(°C) | 174-177°C |
|---|---|
| Molecular Weight | 460.600 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 460.33 Da |
| Monoisotopic Mass | 460.33 Da |
| Topological Polar Surface Area | 78.900 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 458.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
