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Screening compounds

2cHCaA4OdCP

Also known as 4-butoxy-2,3-dicyanophenyl 4-ethylcyclohexanecarboxylate, Cyclohexanecarboxylic acid, 4-ethyl-, 4-butoxy-2,3-dicyanophenyl ester, trans-

CAS 1234032-02-0Formula C21H26N2O3Molar mass 354.45 g/mol
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2cHCaA4OdCP chemical structure, C21H26N2O3, CAS 1234032-02-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1234032-02-0
Formula
C21H26N2O3
Molar mass
354.45 g/mol
HS code
292690
Category
Screening compounds

What is 2cHCaA4OdCP?

Plain description, key identifiers and synonyms

2cHCaA4OdCP is a chemical substance with the molecular formula C21H26N2O3 and a molar mass of 354.45 g/mol. Its CAS registry number is 1234032-02-0. The IUPAC name is (4-butoxy-2,3-dicyanophenyl) 4-ethylcyclohexane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4-butoxy-2,3-dicyanophenyl) 4-ethylcyclohexane-1-carboxylate
CAS number
1234032-02-0
Molecular formula
C21H26N2O3
InChIKey
RLJOYTRMRQOLNX-UHFFFAOYSA-N
InChI
InChI=1S/C21H26N2O3/c1-3-5-12-25-19-10-11-20(18(14-23)17(19)13-22)26-21(24)16-8-6-15(4-2)7-9-16/h10-11,15-16H,3-9,12H2,1-2H3
SMILES (canonical and isomeric)
CCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)CC)C#N)C#N

Synonyms

  • 4-butoxy-2,3-dicyanophenyl 4-ethylcyclohexanecarboxylate
  • Cyclohexanecarboxylic acid, 4-ethyl-, 4-butoxy-2,3-dicyanophenyl ester, trans-

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
354.45 g/molcalc.
Exact mass
354.1943 Dacalc.
LogP (octanol/water)
4.73calc.
Topological polar surface area
83.11 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
26calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
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(Oc1ccccc1)C1CCCCC1

O=C(Oc1ccccc1)C1CCCCC1

2 rings, 15 atoms, the Phenyl cyclohexanecarboxylate ring system.

138 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.

2cHCaA4OdCP suppliers

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2cHCaA4OdCP 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 2cHCaA4OdCP 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 2cHCaA4OdCP is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2cHCaA4OdCP, based on the data on this page

What is 2cHCaA4OdCP?

2cHCaA4OdCP is a chemical substance with the molecular formula C21H26N2O3 and a molar mass of 354.45 g/mol. Its CAS registry number is 1234032-02-0. The IUPAC name is (4-butoxy-2,3-dicyanophenyl) 4-ethylcyclohexane-1-carboxylate.

What is the CAS number of 2cHCaA4OdCP?

The CAS registry number of 2cHCaA4OdCP is 1234032-02-0.

What is the molecular formula and weight of 2cHCaA4OdCP?

The molecular formula of 2cHCaA4OdCP is C21H26N2O3 and its molar mass is 354.45 g/mol.

What is 2cHCaA4OdCP used for?

Known uses and roles of 2cHCaA4OdCP include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2cHCaA4OdCP hazardous?

No GHS hazard classification for 2cHCaA4OdCP 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 2cHCaA4OdCP?

2cHCaA4OdCP 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 2cHCaA4OdCP?

Post a free request on CompoundList and suppliers of 2cHCaA4OdCP will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 2cHCaA4OdCP?

Suppliers quote 2cHCaA4OdCP 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 2cHCaA4OdCP

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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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