≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light 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.
| Sonrisas canónicas | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N |
|---|---|
| IUPAC Name | tert-butyl 4-[(3-aminophenyl)methyl]piperazine-1-carboxylate |
| InChIKey | VKSINZNBWVJILC-UHFFFAOYSA-N |
| INCHI | 1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-7-18(8-10-19)12-13-5-4-6-14(17)11-13/h4-6,11H,7-10,12,17H2,1-3H3 |
| Isómeros SMILES | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N |
| Peso molecular | 291.4 |
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 |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Piperazine carboxylic acids and derivatives |
| Direct Parent | Piperazine carboxylic acids |
| Alternative Parents | Phenylmethylamines Benzylamines Aniline and substituted anilines N-alkylpiperazines Aralkylamines Carbamate esters Trialkylamines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Piperazine-1-carboxylic acid - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Punto de fusión (°C) | 110 - 120℃ |
|---|---|
| Peso molecular | 291.390 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 291.195 Da |
| Monoisotopic Mass | 291.195 Da |
| Topological Polar Surface Area | 58.800 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 346.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
K2524266