≥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 | CC(C)(C)OC(=O)N1CC2CC1CN2CC3=CC=CC=C3 |
|---|---|
| IUPAC Name | tert-butyl (1R,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
| InChIKey | MSIWYWFJAALCQM-HUUCEWRRSA-N |
| INCHI | 1S/C17H24N2O2/c1-17(2,3)21-16(20)19-12-14-9-15(19)11-18(14)10-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m1/s1 |
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 | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Piperazine carboxylic acids and derivatives |
| Direct Parent | Piperazine carboxylic acids |
| Alternative Parents | Pyrrolidine carboxylic acids Phenylmethylamines Benzylamines N-alkylpiperazines Aralkylamines N-alkylpyrrolidines Carbamate esters Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Piperazine-1-carboxylic acid - Benzylamine - Phenylmethylamine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Carbamic acid ester - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups. |
| External Descriptors | Not available |
| Molecular Weight | 288.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 288.184 Da |
| Monoisotopic Mass | 288.184 Da |
| Topological Polar Surface Area | 32.800 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 385.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
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