≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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)N1CC2CC1CN2.Cl |
|---|---|
| IUPAC Name | tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride |
| InChIKey | XFBFNTNDFXDYEC-SCLLHFNJSA-N |
| INCHI | 1S/C10H18N2O2.ClH/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7;/h7-8,11H,4-6H2,1-3H3;1H/t7-,8-;/m1./s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2.Cl |
| Alternate CAS | 134003-84-2 |
| PubChem CID | 44828565 |
| Molecular Weight | 234.72 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Carbamate esters Tertiary amines Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Piperazine-1-carboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Tertiary amine - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aliphatic 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 | 234.720 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 234.114 Da |
| Monoisotopic Mass | 234.114 Da |
| Topological Polar Surface Area | 41.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 247.000 |
| 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 | 2 |
