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Heterocyclic building blocks

Hexamide

Also known as Benzimine, 1-Benzoylhexahydro-1H-azepine, Benzimin

CAS 3653-39-2Formula C13H17NOMolar mass 203.29 g/molEC 808-815-0
GHS signal word: Danger. Pictograms: Corrosive 1 supplier listed
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Hexamide chemical structure, C13H17NO, CAS 3653-39-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3653-39-2
Formula
C13H17NO
Molar mass
203.29 g/mol
EC number
808-815-0
HS code
293399
Category
Heterocyclic building blocks

What is Hexamide?

Plain description, key identifiers and synonyms

Hexamide is a chemical substance with the molecular formula C13H17NO and a molar mass of 203.29 g/mol. Its CAS registry number is 3653-39-2. The IUPAC name is azepan-1-yl(phenyl)methanone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
azepan-1-yl(phenyl)methanone
CAS number
3653-39-2 CAS number cross-checked
EC number
808-815-0
Molecular formula
C13H17NO
UNII
Y01T1YIK70
InChIKey
KZLCCMBSJDXNDG-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-14/h3-5,8-9H,1-2,6-7,10-11H2
SMILES (canonical and isomeric)
C1CCCN(CC1)C(=O)C2=CC=CC=C2

Synonyms

  • Benzimine
  • 1-Benzoylhexahydro-1H-azepine
  • Benzimin
  • P 401 (insect repellent)
  • 1-Benzoylperhydroazepine
  • N-Benzoylhexahydroazepine
  • N-Benzoylhexamethylenimine
  • 1-Benzoylhexamethylenimine
  • N-Benzoylhexamethyleneimine
  • Hexamethylene, 1-benzoyl-
  • Hexamid (insect repellent)
  • 1H-Azepine, 1-benzoylhexahydro-
  • Perhydroazepin-1-yl phenyl ketone
  • 5-20-04-00031 (Beilstein Handbook Reference)
  • Hexamide (VAN)
  • azepan-1-yl(phenyl)methanone
  • 1-Benzoylazepane
  • 1-benzoyl-perhydro-azepine
  • Azepan-1-yl-phenyl-methanone
  • (Azepan-1-yl)(phenyl)methanone

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
203.29 g/molcalc.
Exact mass
203.131 Dacalc.
LogP (octanol/water)
2.7calc.
Topological polar surface area
20.31 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
15calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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, O=C(c1ccccc1)N1CCCCCC1

O=C(c1ccccc1)N1CCCCCC1

2 rings, 15 atoms. This chemical is the scaffold itself.

90 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive

Hazard statements

  • H318Causes serious eye damage.
Precautionary statements (4)
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.

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

Hexamide suppliers

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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

1 supplier in 1 country

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Hexamide 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

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Hexamide 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 Hexamide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Hexamide?

Hexamide is a chemical substance with the molecular formula C13H17NO and a molar mass of 203.29 g/mol. Its CAS registry number is 3653-39-2. The IUPAC name is azepan-1-yl(phenyl)methanone.

What is the CAS number of Hexamide?

The CAS registry number of Hexamide is 3653-39-2.

What is the molecular formula and weight of Hexamide?

The molecular formula of Hexamide is C13H17NO and its molar mass is 203.29 g/mol.

What is Hexamide used for?

Known uses and roles of Hexamide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Hexamide hazardous?

Hexamide carries the GHS signal word "Danger". Main hazards: causes serious eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Hexamide?

Hexamide 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 Hexamide?

CompoundList lists 1 supplier of Hexamide in Australia. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Hexamide?

Suppliers quote Hexamide 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 Hexamide

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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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