Azepane

C6H13N

azepane

CAS111-49-9

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Identification

CAS Number
111-49-9
EC Number
203-875-9
UN Number
2493
PubChem CID
8119

Physical-chemical properties

Molecular Formula
C6H13N
Molar Mass
99.17 g/mol
IUPAC Name
azepane

Chemical Identifiers

InChI
InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2
InChI Key
ZSIQJIWKELUFRJ-UHFFFAOYSA-N

Overview

Azepane (CAS 111-49-9) is a seven-membered saturated nitrogen heterocycle with basic amine properties and moderate volatility. This cyclic secondary amine represents an important member of the azacycloalkane family, featuring a single nitrogen atom incorporated into a seven-carbon ring structure. With its molecular formula C6H13N and molecular weight of 99.17 g/mol, azepane exhibits characteristic properties of cyclic amines while maintaining structural stability due to its optimal ring size that minimizes angle strain. As a colorless liquid under standard conditions, azepane demonstrates typical basic behavior associated with secondary amines, readily forming salts with acids and participating in nucleophilic reactions. The compound's moderate volatility and reasonable stability make it suitable for various synthetic applications where controlled reactivity is desired. Unlike more complex molecules such as 2,2,5-trimethylhex-4-enal which contains multiple functional groups, azepane's simple cyclic structure provides predictable chemical behavior. The substance finds primary application in pharmaceutical intermediate synthesis, where its seven-membered ring serves as a valuable building block for bioactive compounds. Additionally, azepane functions as a chemical intermediate in the production of specialty polymers and as a catalyst component in certain organic transformations. Its utility extends to research applications where controlled basicity and specific steric properties are required. From a safety perspective, azepane is classified under ADR Class 3 as a flammable liquid, requiring appropriate handling precautions including adequate ventilation and ignition source control. Standard laboratory safety protocols apply when working with this compound. OYSI maintains reliable supply chains for azepane to support European industrial and research customers requiring consistent quality and dependable delivery schedules.

Safety & Classification

No Hazard Classification

This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.

Transport (ADR)

UN Number2493
ADR Class3
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameHexamethylenimin
Marine PollutantNo

Frequently Asked Questions

What is azepane?

Azepane is a seven-membered saturated heterocyclic amine with the molecular formula C6H13N and CAS number 111-49-9. This organic compound belongs to the azacycloalkane family and features a nitrogen atom incorporated into a cycloheptane ring structure. With a molecular weight of 99.17 g/mol, azepane serves as an important intermediate in organic synthesis and pharmaceutical chemistry applications.

What are the physicochemical properties of azepane?

Azepane is a colorless to pale yellow liquid at room temperature with a characteristic amine-like odor. The compound exhibits good solubility in polar solvents due to its nitrogen atom, which can form hydrogen bonds. Its seven-membered ring structure provides moderate stability, and the compound displays typical secondary amine reactivity patterns in chemical reactions.

What is azepane used for?

Azepane is primarily used as a synthetic intermediate in pharmaceutical and fine chemical manufacturing. The compound serves as a building block for developing various pharmaceutical compounds, particularly in the synthesis of complex heterocyclic structures. It also finds applications in specialty chemical production and as a precursor for other nitrogen-containing organic compounds in research and development activities.

How to handle azepane safely?

Azepane should be handled with standard chemical safety precautions including wearing appropriate personal protective equipment such as safety goggles, nitrile gloves, and lab coats. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation exposure. Avoid contact with skin and eyes, and ensure no sources of ignition are present during handling due to its flammable nature.

How to store azepane correctly?

Azepane should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. The storage area must be equipped with appropriate fire prevention systems due to its ADR Class 3 classification. Keep containers upright and ensure compatibility with storage materials. Maintain storage temperatures according to supplier specifications to prevent degradation.

What to do in case of contact with azepane?

In case of skin contact with azepane, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or if large quantities were involved in the exposure.

How to dispose of azepane properly?

Azepane must be disposed of according to local, national, and European waste regulations as a hazardous chemical waste. The compound should be collected in appropriate waste containers and handed over to licensed waste management companies for proper treatment or incineration. Do not dispose of azepane down drains or into the environment, as this violates environmental protection regulations.

How to transport azepane?

Azepane is classified under ADR Class 3 (flammable liquids), Packing Group II for transportation purposes. The compound must be packaged in UN-approved containers with proper labeling and documentation. Transport vehicles must comply with ADR regulations for Class 3 substances, including appropriate safety equipment and driver certification. Proper shipping papers and emergency response information must accompany shipments.

Is azepane subject to specific regulations?

Azepane is subject to standard European chemical regulations including REACH registration requirements for commercial use. The compound is not classified as a Substance of Very High Concern (SVHC) and does not carry specific GHS hazard classifications. However, users must comply with general chemical safety regulations, workplace exposure limits, and proper documentation requirements for industrial chemical handling and use.

Where to buy azepane in Europe?

Azepane is available through OYSI, a leading European distributor of specialty chemicals and pharmaceutical intermediates. OYSI provides reliable supply chains across Europe with proper documentation and regulatory compliance. As a professional chemical distributor, OYSI ensures product quality and provides technical support for azepane applications in pharmaceutical and fine chemical industries throughout European markets.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.