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Aliphatic and alicyclic building blocks

Cyclohexanecarboxylic acid, ethyl ester, cis-

Also known as Cyclohexanecarboxylic acid, ethyl ester, (Z)-, N-(2-Chloroethyl)-N'-[(1R,3S)-3-(ethoxycarbonyl)cyclohexyl]-N-nitrosocarbamimidic acid, N-(2-Chloroethyl)-N'-[3-(ethoxycarbonyl)cyclohexyl]-N-nitrosocarbamimidic acid

CAS 33073-61-9Formula C12H20ClN3O4Molar mass 305.76 g/mol
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Cyclohexanecarboxylic acid, ethyl ester, cis- chemical structure, C12H20ClN3O4, CAS 33073-61-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
33073-61-9
Formula
C12H20ClN3O4
Molar mass
305.76 g/mol
HS code
292429
Category
Aliphatic and alicyclic building blocks

What is Cyclohexanecarboxylic acid, ethyl ester, cis-?

Plain description, key identifiers and synonyms

Cyclohexanecarboxylic acid, ethyl ester, cis- is a chemical substance with the molecular formula C12H20ClN3O4 and a molar mass of 305.76 g/mol. Its CAS registry number is 33073-61-9. The IUPAC name is cis-ethyl (1S,3R)-3-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
cis-ethyl (1S,3R)-3-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
CAS number
33073-61-9Other or deprecated CAS: 3326-96-3
Molecular formula
C12H20ClN3O4
InChIKey
YFDRQXFULJWHDW-VHSXEESVSA-N
InChI
InChI=1S/C12H20ClN3O4/c1-2-20-11(17)9-4-3-5-10(8-9)14-12(18)16(15-19)7-6-13/h9-10H,2-8H2,1H3,(H,14,18)/t9-,10+/m0/s1
Canonical SMILES
CCOC(=O)C1CCCC(NC(=O)N(CCCl)N=O)C1
Isomeric SMILES
CCOC(=O)[C@H]1CCC[C@H](C1)NC(=O)N(CCCl)N=O

Synonyms

  • Cyclohexanecarboxylic acid, ethyl ester, (Z)-
  • N-(2-Chloroethyl)-N'-[(1R,3S)-3-(ethoxycarbonyl)cyclohexyl]-N-nitrosocarbamimidic acid
  • N-(2-Chloroethyl)-N'-[3-(ethoxycarbonyl)cyclohexyl]-N-nitrosocarbamimidic acid

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
305.76 g/molcalc.
Exact mass
305.1142 Dacalc.
LogP (octanol/water)
2.04calc.
Topological polar surface area
88.07 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
20calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
Formal charge
0calc.
Stereocentres
2calc.
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.

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Cyclohexanecarboxylic acid, ethyl ester, cis- price

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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 Cyclohexanecarboxylic acid, ethyl ester, cis- is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Cyclohexanecarboxylic acid, ethyl ester, cis- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cyclohexanecarboxylic acid, ethyl ester, cis-, based on the data on this page

What is Cyclohexanecarboxylic acid, ethyl ester, cis-?

Cyclohexanecarboxylic acid, ethyl ester, cis- is a chemical substance with the molecular formula C12H20ClN3O4 and a molar mass of 305.76 g/mol. Its CAS registry number is 33073-61-9. The IUPAC name is cis-ethyl (1S,3R)-3-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate.

What is the CAS number of Cyclohexanecarboxylic acid, ethyl ester, cis-?

The CAS registry number of Cyclohexanecarboxylic acid, ethyl ester, cis- is 33073-61-9. Other or deprecated CAS numbers: 3326-96-3.

What is the molecular formula and weight of Cyclohexanecarboxylic acid, ethyl ester, cis-?

The molecular formula of Cyclohexanecarboxylic acid, ethyl ester, cis- is C12H20ClN3O4 and its molar mass is 305.76 g/mol.

What is Cyclohexanecarboxylic acid, ethyl ester, cis- used for?

Known uses and roles of Cyclohexanecarboxylic acid, ethyl ester, cis- include building blocks in research and laboratory.

Is Cyclohexanecarboxylic acid, ethyl ester, cis- hazardous?

No GHS hazard classification for Cyclohexanecarboxylic acid, ethyl ester, cis- 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 Cyclohexanecarboxylic acid, ethyl ester, cis-?

Cyclohexanecarboxylic acid, ethyl ester, cis- is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cyclohexanecarboxylic acid, ethyl ester, cis-?

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What is the price of Cyclohexanecarboxylic acid, ethyl ester, cis-?

Suppliers quote Cyclohexanecarboxylic acid, ethyl ester, cis- 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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