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Nitriles, nitro and azo compounds

Cyclohexaneacrylonitrile, (E)-

Also known as 2-trans-3-cyclohexylacrylonitrile

CAS 22031-57-8Formula C9H13NMolar mass 135.21 g/mol
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Cyclohexaneacrylonitrile, (E)- chemical structure, C9H13N, CAS 22031-57-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
22031-57-8
Formula
C9H13N
Molar mass
135.21 g/mol
HS code
292690
Category
Nitriles, nitro and azo compounds

What is Cyclohexaneacrylonitrile, (E)-?

Plain description, key identifiers and synonyms

Cyclohexaneacrylonitrile, (E)- is a chemical substance with the molecular formula C9H13N and a molar mass of 135.21 g/mol. Its CAS registry number is 22031-57-8. The IUPAC name is (E)-3-cyclohexylprop-2-enenitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-3-cyclohexylprop-2-enenitrile
CAS number
22031-57-8
Molecular formula
C9H13N
InChIKey
VEBCSALPNMISTC-QPJJXVBHSA-N
InChI
InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6H2/b7-4+
Canonical SMILES
N#CC=CC1CCCCC1
Isomeric SMILES
C1CCC(CC1)/C=C/C#N

Synonyms

  • 2-trans-3-cyclohexylacrylonitrile

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
135.21 g/molcalc.
Exact mass
135.1048 Dacalc.
LogP (octanol/water)
2.65calc.
Topological polar surface area
23.79 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
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, C1CCCCC1

C1CCCCC1

1 ring, 6 atoms, the Cyclohexane ring system.

24,737 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Cyclohexaneacrylonitrile, (E)- suppliers

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Cyclohexaneacrylonitrile, (E)- 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 Cyclohexaneacrylonitrile, (E)- is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Cyclohexaneacrylonitrile, (E)-, based on the data on this page

What is Cyclohexaneacrylonitrile, (E)-?

Cyclohexaneacrylonitrile, (E)- is a chemical substance with the molecular formula C9H13N and a molar mass of 135.21 g/mol. Its CAS registry number is 22031-57-8. The IUPAC name is (E)-3-cyclohexylprop-2-enenitrile.

What is the CAS number of Cyclohexaneacrylonitrile, (E)-?

The CAS registry number of Cyclohexaneacrylonitrile, (E)- is 22031-57-8.

What is the molecular formula and weight of Cyclohexaneacrylonitrile, (E)-?

The molecular formula of Cyclohexaneacrylonitrile, (E)- is C9H13N and its molar mass is 135.21 g/mol.

What is Cyclohexaneacrylonitrile, (E)- used for?

Known uses and roles of Cyclohexaneacrylonitrile, (E)- include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cyclohexaneacrylonitrile, (E)- hazardous?

No GHS hazard classification for Cyclohexaneacrylonitrile, (E)- is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Cyclohexaneacrylonitrile, (E)-?

Cyclohexaneacrylonitrile, (E)- is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cyclohexaneacrylonitrile, (E)-?

Post a free request on CompoundList and suppliers of Cyclohexaneacrylonitrile, (E)- will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cyclohexaneacrylonitrile, (E)-?

Suppliers quote Cyclohexaneacrylonitrile, (E)- 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 Cyclohexaneacrylonitrile, (E)-

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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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