≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged 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 | CC(C)(C)OC(=O)N1CCNC(C1)C#N |
|---|---|
| IUPAC Name | tert-butyl 3-cyanopiperazine-1-carboxylate |
| InChIKey | CBFXRUGJRMBDFG-UHFFFAOYSA-N |
| INCHI | 1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-4-12-8(6-11)7-13/h8,12H,4-5,7H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCNC(C1)C#N |
| PubChem CID | 53487922 |
| Molecular Weight | 211.26 |
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 | Carbamate esters Alpha-aminonitriles Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Piperazine-1-carboxylic acid - Carbamic acid ester - Alpha-aminonitrile - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Cyanide - Aliphatic heteromonocyclic 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 |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 211.260 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 211.132 Da |
| Monoisotopic Mass | 211.132 Da |
| Topological Polar Surface Area | 65.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 287.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
H2521628