≥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)NC1CCC(=O)C(=CN(C)C)C1 |
|---|---|
| IUPAC Name | tert-butyl N-[(3Z)-3-(dimethylaminomethylidene)-4-oxocyclohexyl]carbamate |
| InChIKey | JYWATPVKXAPTLI-KTKRTIGZSA-N |
| INCHI | 1S/C14H24N2O3/c1-14(2,3)19-13(18)15-11-6-7-12(17)10(8-11)9-16(4)5/h9,11H,6-8H2,1-5H3,(H,15,18)/b10-9- |
| Isomeric SMILES | CC(C)(C)OC(=O)NC1CCC(=O)/C(=C\N(C)C)/C1 |
| PubChem CID | 59437360 |
| Molecular Weight | 268.35 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 - Carbamic acids and derivatives |
| Direct Parent | Carbamate esters |
| Alternative Parents | Vinylogous amides Trialkylamines Cyclic ketones Enamines Allylamines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Carbamic acid ester - Vinylogous amide - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Enamine - Allylamine - Organic nitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids. |
| External Descriptors | Not available |
| Molecular Weight | 268.350 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 268.179 Da |
| Monoisotopic Mass | 268.179 Da |
| Topological Polar Surface Area | 58.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 381.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
