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Aliphatic and alicyclic building blocks

Methyl 1-nitrocyclohexanepropionate

Also known as Cyclohexanepropionic acid, 1-nitro-, methyl ester, methyl 3-(1-nitrocyclohexyl)propanoate, Cyclohexanepropionic acid, 1-nitro methyl ester

CAS 71648-41-4Formula C10H17NO4Molar mass 215.25 g/molEC 654-669-4
GHS signal word: Warning. Pictograms: Harmful or irritant
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Methyl 1-nitrocyclohexanepropionate chemical structure, C10H17NO4, CAS 71648-41-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
71648-41-4
Formula
C10H17NO4
Molar mass
215.25 g/mol
EC number
654-669-4
HS code
291620
Category
Aliphatic and alicyclic building blocks

What is Methyl 1-nitrocyclohexanepropionate?

Plain description, key identifiers and synonyms

Methyl 1-nitrocyclohexanepropionate is a chemical substance with the molecular formula C10H17NO4 and a molar mass of 215.25 g/mol. Its CAS registry number is 71648-41-4. The IUPAC name is methyl 3-(1-nitrocyclohexyl)propanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 3-(1-nitrocyclohexyl)propanoate
CAS number
71648-41-4 CAS number cross-checked
EC number
654-669-4
Molecular formula
C10H17NO4
InChIKey
AVXYQXCOTAFKQF-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO4/c1-15-9(12)5-8-10(11(13)14)6-3-2-4-7-10/h2-8H2,1H3
SMILES (canonical and isomeric)
COC(=O)CCC1(CCCCC1)[N+](=O)[O-]

Synonyms

  • Cyclohexanepropionic acid, 1-nitro-, methyl ester
  • methyl 3-(1-nitrocyclohexyl)propanoate
  • Cyclohexanepropionic acid, 1-nitro methyl ester
  • Methyl (1-nitrocyclohexane)propionate
  • 3-(1-Nitro-cyclohexyl)propionic Acid Methyl Ester

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
215.25 g/molcalc.
Exact mass
215.1158 Dacalc.
LogP (octanol/water)
1.92calc.
Topological polar surface area
69.44 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
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

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

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • 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

Methyl 1-nitrocyclohexanepropionate suppliers

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Methyl 1-nitrocyclohexanepropionate 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 Methyl 1-nitrocyclohexanepropionate is traded under.

HS 2916.20Indicative HS code

Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…

World exports in 2024
$489M
−6.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China45.5%
  2. India * partner reported18.6%
  3. Japan11.2%
Top importers
  1. Brazil20.3%
  2. United States15.7%
  3. India * partner reported12.8%

* Partner reported figures, a lower bound.

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

The HS code shown for Methyl 1-nitrocyclohexanepropionate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methyl 1-nitrocyclohexanepropionate, based on the data on this page

What is Methyl 1-nitrocyclohexanepropionate?

Methyl 1-nitrocyclohexanepropionate is a chemical substance with the molecular formula C10H17NO4 and a molar mass of 215.25 g/mol. Its CAS registry number is 71648-41-4. The IUPAC name is methyl 3-(1-nitrocyclohexyl)propanoate.

What is the CAS number of Methyl 1-nitrocyclohexanepropionate?

The CAS registry number of Methyl 1-nitrocyclohexanepropionate is 71648-41-4.

What is the molecular formula and weight of Methyl 1-nitrocyclohexanepropionate?

The molecular formula of Methyl 1-nitrocyclohexanepropionate is C10H17NO4 and its molar mass is 215.25 g/mol.

What is Methyl 1-nitrocyclohexanepropionate used for?

Known uses and roles of Methyl 1-nitrocyclohexanepropionate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Methyl 1-nitrocyclohexanepropionate hazardous?

Methyl 1-nitrocyclohexanepropionate carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Methyl 1-nitrocyclohexanepropionate?

Methyl 1-nitrocyclohexanepropionate is usually classified under HS code 291620 (Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methyl 1-nitrocyclohexanepropionate?

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What is the price of Methyl 1-nitrocyclohexanepropionate?

Suppliers quote Methyl 1-nitrocyclohexanepropionate 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 Methyl 1-nitrocyclohexanepropionate

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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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