≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 | C=C(C#N)C(=O)O.C1CCC(CC1)NC2CCCCC2 |
|---|---|
| IUPAC Name | 2-cyanoprop-2-enoic acid;N-cyclohexylcyclohexanamine |
| InChIKey | KBUNPAIJSVOOSU-UHFFFAOYSA-N |
| INCHI | 1S/C12H23N.C4H3NO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(2-5)4(6)7/h11-13H,1-10H2;1H2,(H,6,7) |
| Isomeric SMILES | C=C(C#N)C(=O)O.C1CCC(CC1)NC2CCCCC2 |
| PubChem CID | 70677412 |
| Molecular Weight | 278.39 |
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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Cyclohexylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cyclohexylamines |
| Alternative Parents | Quaternary ammonium salts Carboxylic acid salts Nitriles Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations |
| Molecular Framework | Not available |
| Substituents | Cyclohexylamine - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Cyanide - Organic oxygen compound - Amine - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group. |
| External Descriptors | Not available |
| Molecular Weight | 278.390 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 278.199 Da |
| Monoisotopic Mass | 278.199 Da |
| Topological Polar Surface Area | 73.100 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 266.000 |
| 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 | 2 |
