4-Isopropylcyclohexylamine (cis- and trans- mixture) TCI I0853

Chemical Identity

CAS No.: 52430-81-6
PubChem: CID 421053·SID 160871354
Formula: C9H19N
Molecular weight: 141.25 g/mol
Purity: >98.0%(GC)(T)
Reference databases: ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 4-propan-2-ylcyclohexan-1-amine
SMILES: CC(C)C1CCC(CC1)N
InChIKey: MFRKYEJMLQUSJX-UHFFFAOYSA-N

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4-Isopropylcyclohexylamine is a primary alicyclic amine bearing an isopropyl group at the para position of the cyclohexane ring, and it is supplied as a mixture of cis and trans isomers. The compound serves as a non-heterocyclic building block that is widely used to install a branched cyclohexyl fragment into target molecules. Its primary amine group provides a clear reaction point for the formation of amides, ureas, sulfonamides, and imines, allowing researchers to develop a library of derivative compounds from a single common starting material.

The characteristics that make this reagent a preferred choice are the basic and nucleophilic nature of the primary amine combined with a rigid, lipophilic alicyclic framework. This combination is particularly useful in medicinal chemistry when researchers wish to increase lipid solubility or adjust the spatial shape of a molecule without adding an aromatic group. The material is a liquid packaged in a 5 mL size, so it can be withdrawn accurately with a syringe for small-scale reactions. The presence of a cis and trans isomer mixture is also of interest for studies on how configuration influences reaction outcomes.

In Indonesian laboratories, this material is used in organic synthesis research at universities and research institutions, where small pack sizes suit exploratory work and method development. Its role as a defined starting material supports the preparation of derivative series, and the liquid form allows convenient handling under inert-atmosphere technique. Researchers working on structure–activity studies value having a saturated, branched amine available alongside the more common aromatic amine reagents.

Related TCI products

Amide bond formation: the primary amine reacts readily with acid chlorides, anhydrides, and activated carboxylic acids to give cyclohexyl-substituted amides for derivative libraries.
Urea and thiourea synthesis: coupling the amine with isocyanates or isothiocyanates delivers rigid, lipophilic urea scaffolds frequently explored in medicinal chemistry programs.
Sulfonamide preparation: reaction with sulfonyl chlorides converts the free amine into sulfonamide products, giving researchers a second distinct derivatisation route from one starting material.
Imine and reductive amination chemistry: condensation with aldehydes or ketones forms imines that can be reduced further to access secondary and tertiary amines.
Stereochemical and configuration studies: the supplied cis and trans isomer mixture lets researchers examine how ring configuration influences reaction outcome, selectivity, and product properties.

Brand	TCI
CAS number	52430-81-6
Molecular formula	—
Purity	—
Category	Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes	5 mL
Physical form	liquid
Storage	keep tightly closed in the original container; store as directed on the manufacturer's label

Store the container tightly closed in a cool, well-ventilated area away from heat, ignition sources, and incompatible materials such as strong acids and strong oxidising agents. As a basic amine liquid, the product should be kept in its original sealed bottle and, where prolonged storage or moisture sensitivity is a concern, handled under an inert atmosphere. Dispense using a clean, dry syringe inside a fume hood, and avoid contact with skin, eyes, and clothing. Wear safety goggles, chemical-resistant gloves, and a laboratory coat throughout handling. Label secondary containers clearly, close the bottle immediately after use, and consult the manufacturer's safety data sheet before first use and for disposal guidance.

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