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Screening compounds

2,2,2-Cryptand

Also known as 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane, Cryptand 222, Cryptating agent 222

CAS 23978-09-8Formula C18H36N2O6Molar mass 376.49 g/molEC 245-962-4
GHS signal word: Warning. Pictograms: Harmful or irritant 12 suppliers listed
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2,2,2-Cryptand chemical structure, C18H36N2O6, CAS 23978-09-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
23978-09-8
Formula
C18H36N2O6
Molar mass
376.49 g/mol
EC number
245-962-4
HS code
293499
Category
Screening compounds

What is 2,2,2-Cryptand?

Plain description, key identifiers and synonyms

2,2,2-Cryptand is a chemical substance with the molecular formula C18H36N2O6 and a molar mass of 376.49 g/mol. Its CAS registry number is 23978-09-8. The IUPAC name is 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
CAS number
23978-09-8 CAS number cross-checked
EC number
245-962-4
Molecular formula
C18H36N2O6
UNII
18V22YHN6G
MDL number
MFCD00005111
InChIKey
AUFVJZSDSXXFOI-UHFFFAOYSA-N
InChI
InChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2
SMILES (canonical and isomeric)
C1COCCOCCN2CCOCCOCCN1CCOCCOCC2

Synonyms

  • 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
  • Cryptand 222
  • Cryptating agent 222
  • Cryptate 222
  • Ligand 222
  • Cryptofix 222
  • Kriptofix 222
  • Kryptand 222
  • Cryptand C 222
  • Cryptand-222
  • 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo(8.8.8)hexacosane
  • Kryptofix 222
  • Cryptand 2.2.2
  • 2,2,2-Crypt
  • Crypt-2,2,2
  • Kryptofix-222
  • Kryptofix Merck 222
  • 13,16,21,24-Hexaoxa-1,10-diazabicyclo-(8,8,8)-hexacosane
  • [2.2.2]cryptand
  • Crypt-
  • 2,2-Cryptand
  • 2,2,2-Cryptate
  • (2,2,2)Crypand
  • 4,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
  • 4,7,13,16,21,24-hexaoxa-1,10-diaza-bicyclo[8.8.8]hexacosane
Show all 29 synonyms
  • 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo-[8.8.8]hexacosane
  • 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8.]hexacosane
  • 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane, 98%
  • 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]-hexacosane (Kryptofix 2.2.2)

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
376.49 g/molcalc.
Exact mass
376.2573 Dacalc.
LogP (octanol/water)
-0.28calc.
Topological polar surface area
61.86 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
0calc.
Heavy atoms
26calc.
Rings
3calc.
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, C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2

C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2

3 rings, 26 atoms. This chemical is the scaffold itself.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

2,2,2-Cryptand suppliers

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All 12 suppliers
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Where suppliers are based

12 suppliers in 5 countries

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2,2,2-Cryptand price

Indicative price range per kg from live supplier offers

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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 2,2,2-Cryptand is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 2,2,2-Cryptand is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2,2,2-Cryptand, based on the data on this page

What is 2,2,2-Cryptand?

2,2,2-Cryptand is a chemical substance with the molecular formula C18H36N2O6 and a molar mass of 376.49 g/mol. Its CAS registry number is 23978-09-8. The IUPAC name is 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane.

What is the CAS number of 2,2,2-Cryptand?

The CAS registry number of 2,2,2-Cryptand is 23978-09-8.

What is the molecular formula and weight of 2,2,2-Cryptand?

The molecular formula of 2,2,2-Cryptand is C18H36N2O6 and its molar mass is 376.49 g/mol.

What is 2,2,2-Cryptand used for?

Known uses and roles of 2,2,2-Cryptand include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2,2,2-Cryptand hazardous?

2,2,2-Cryptand carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2,2,2-Cryptand?

2,2,2-Cryptand is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2,2,2-Cryptand?

CompoundList lists 12 suppliers of 2,2,2-Cryptand in China, Singapore, Hong Kong, Japan and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 2,2,2-Cryptand?

Suppliers quote 2,2,2-Cryptand 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

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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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