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Herbicides

Azepane

Also known as Hexamethyleneimine, Hexahydroazepine, Hexamethylenimine

CAS 111-49-9Formula C6H13NMolar mass 99.18 g/molEC 203-875-9
GHS signal word: Danger. Pictograms: Flammable, Corrosive, Acute toxicity (severe), Harmful or irritant 14 suppliers listed
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Azepane chemical structure, C6H13N, CAS 111-49-9
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Clear colorless liq
Melting point
-37 °C
Boiling point
138 °C
Density
0.8643 @ 22 °C/4 °C
Flash point
37.2 °C
HS code
293399
Category
Herbicides
UN number
UN 2493

What is Azepane?

Plain description, key identifiers and synonyms

Azepane is an azacycloalkane that is cycloheptane in which one of the carbon atoms is replaced by a nitrogen atom. It is a saturated organic heteromonocyclic parent, an azacycloalkane and a member of azepanes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
azepane
CAS number
111-49-9 CAS number cross-checked
EC number
203-875-9
Molecular formula
C6H13N
UNII
CZD076G73R
MDL number
MFCD00006934
InChIKey
ZSIQJIWKELUFRJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2
SMILES (canonical and isomeric)
C1CCCNCC1

Synonyms

  • Hexamethyleneimine
  • Hexahydroazepine
  • Hexamethylenimine
  • Homopiperidine
  • Azacycloheptane
  • 1H-Azepine, hexahydro-
  • 1-Azacycloheptane
  • Cyclohexamethylenimine
  • Hexamethylene imine
  • Cycloheptane, 1-aza-
  • CP 18407
  • Perhydroazepine
  • Hexahydro-1H-azepine
  • azepan
  • Azepine, hexahydro-
  • azaperhydroepine
  • Azepane #
  • Hexamethyleneimine, 99%
  • 1-Azacycloheptane, Azacycloheptane
  • 2,3,4,5,6,7-hexahydroazepine
  • UN 2493
  • 2,3,4,5,6,7-Hexahydro-1H-azepine
  • Hexamethyleneimine [UN2493] [Flammable liquid]

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Clear colorless liqexp.
Odour
AMMONIA-LIKE ODORexp.
Melting point
-37 °Cexp.
Boiling point
138 °Cexp.
Density
0.8643 @ 22 °C/4 °Cexp.
Flash point
37.2 °Cexp.
Solubility
In water, 3.19 × 10⁺⁴ mg/l @ 25 °Cexp.
Vapour pressure
8.09 mm Hg @ 25 °Cexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
99.18 g/molcalc.
Exact mass
99.1048 Dacalc.
LogP (octanol/water)
1.15calc.
Topological polar surface area
12.03 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
7calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCCNCC1

C1CCCNCC1

1 ring, 7 atoms. This chemical is the scaffold itself.

1,880 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable
GHS05: Corrosive
Corrosive
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H225Highly flammable liquid and vapour.
  • H226Flammable liquid and vapour.
  • H300Fatal if swallowed.
  • H302Harmful if swallowed.
  • H314Causes severe skin burns and eye damage.
  • H318Causes serious eye damage.
  • H331Toxic if inhaled.
Precautionary statements (30)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P301 + P317If swallowed: Get medical help.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P363Wash contaminated clothing before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 2493
Transport hazard class
3
Packing group
II

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Azepane suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 14 suppliers
14 of 14 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

14 suppliers in 9 countries

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Azepane price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Chemical intermediate for pharmaceutical, agricultural & rubber chemicals.

In prepn of herbicides.

Industrial uses: Plasticizer, Corrosion inhibitor, Sealant (barrier), Other, UV stabilizer, Heat transferring agent.

How it is made

84% yield by heating hexamethylenediamine at 350 °C in a stream of hydrogen. The catalyst, ammonium vanadate on activated alumina, is prereduced with hydrogen at 500 °C. Residues from industrial distillation of hexamethylenediamine can be converted into hexamethyleneimine over aluminum silicate of aluminum oxide in a stream of nitrogen.

Dimerizing acrolein, reducing the product to 2-hydroxymethyltetrahydropyran, expanding the ring to give oxepane, and reacting it with ammonia over aluminum oxide at 350 °C.

Adiponitrile (nitrile reduction, byproduct of hexamethylenediamine production)

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Azepane is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Azepane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Azepane, based on the data on this page

What is Azepane?

Azepane is an azacycloalkane that is cycloheptane in which one of the carbon atoms is replaced by a nitrogen atom. It is a saturated organic heteromonocyclic parent, an azacycloalkane and a member of azepanes.

What is the CAS number of Azepane?

The CAS registry number of Azepane is 111-49-9.

What is the molecular formula and weight of Azepane?

The molecular formula of Azepane is C6H13N and its molar mass is 99.18 g/mol.

What is Azepane used for?

Chemical intermediate for pharmaceutical, agricultural & rubber chemicals. In prepn of herbicides. Industrial uses: Plasticizer, Corrosion inhibitor, Sealant (barrier), Other, UV stabilizer, Heat transferring agent.

Is Azepane hazardous?

Azepane carries the GHS signal word "Danger". Main hazards: highly flammable liquid and vapour, flammable liquid and vapour, fatal if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Azepane?

Azepane is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Azepane?

CompoundList lists 14 suppliers of Azepane in United States, United Arab Emirates, Canada, Switzerland and 5 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Azepane in India?

1 supplier in India list Azepane on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Azepane?

Suppliers quote Azepane on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Azepane

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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