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Aromatic building blocks

Benzoic acid, compd. with cyclohexanamine (1:1)

Also known as Cyclohexylamine benzoate, Cyclohexylammonium benzoate, N-Cyclohexylammonium benzoate

CAS 3129-92-8Formula C13H19NO2Molar mass 221.30 g/molEC 221-516-4
GHS signal word: Warning. Pictograms: Harmful or irritant 4 suppliers listed
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Benzoic acid, compd. with cyclohexanamine (1:1) chemical structure, C13H19NO2, CAS 3129-92-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3129-92-8
Formula
C13H19NO2
Molar mass
221.30 g/mol
EC number
221-516-4
HS code
291631
Category
Aromatic building blocks

What is Benzoic acid, compd. with cyclohexanamine (1:1)?

Plain description, key identifiers and synonyms

Benzoic acid, compd. with cyclohexanamine (1:1) is a chemical substance with the molecular formula C13H19NO2 and a molar mass of 221.30 g/mol. Its CAS registry number is 3129-92-8. The IUPAC name is benzoic acid, cyclohexanamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
benzoic acid, cyclohexanamine
CAS number
3129-92-8 CAS number cross-checked
EC number
221-516-4
Molecular formula
C13H19NO2
UNII
JUB9DT2JK8
InChIKey
CIFYUXXXOJJPOL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O2.C6H13N/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,9);6H,1-5,7H2
SMILES (canonical and isomeric)
C1CCC(CC1)N.C1=CC=C(C=C1)C(=O)O

Synonyms

  • Cyclohexylamine benzoate
  • Cyclohexylammonium benzoate
  • N-Cyclohexylammonium benzoate
  • Benzoic acid, compound with cyclohexylamine (1:1)
  • Benzoic acid, compd. with cyclohexylamine (1:1) (8CI)
  • Cyclohexanamine benzoate
  • benzoic acid, cyclohexanamine

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
221.30 g/molcalc.
Exact mass
221.1416 Dacalc.
LogP (octanol/water)
2.66calc.
Topological polar surface area
63.32 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
16calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
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 Benzene ring system.

485,677 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.
  • H312Harmful in contact with skin.
  • H332Harmful if inhaled.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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

Benzoic acid, compd. with cyclohexanamine (1:1) suppliers

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All 4 suppliers
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Where suppliers are based

4 suppliers in 3 countries

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Benzoic acid, compd. with cyclohexanamine (1:1) price

Indicative price range per kg from live supplier offers

No published prices right now

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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

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Benzoic acid, compd. with cyclohexanamine (1:1) is traded under.

HS 2916.31Indicative HS code

Benzoic acid, its salts and esters

World exports in 2024
$668M
+12.0% vs 2023, imports $664M
2019 to 2024
Top exporters
  1. China30.7%
  2. Netherlands29.8%
  3. Estonia9.9%
Top importers
  1. United States14.7%
  2. Germany8.8%
  3. Brazil5.1%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Benzoic acid, compd. with cyclohexanamine (1:1) is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Benzoic acid, compd. with cyclohexanamine (1:1), based on the data on this page

What is Benzoic acid, compd. with cyclohexanamine (1:1)?

Benzoic acid, compd. with cyclohexanamine (1:1) is a chemical substance with the molecular formula C13H19NO2 and a molar mass of 221.30 g/mol. Its CAS registry number is 3129-92-8. The IUPAC name is benzoic acid, cyclohexanamine.

What is the CAS number of Benzoic acid, compd. with cyclohexanamine (1:1)?

The CAS registry number of Benzoic acid, compd. with cyclohexanamine (1:1) is 3129-92-8.

What is the molecular formula and weight of Benzoic acid, compd. with cyclohexanamine (1:1)?

The molecular formula of Benzoic acid, compd. with cyclohexanamine (1:1) is C13H19NO2 and its molar mass is 221.30 g/mol.

What is Benzoic acid, compd. with cyclohexanamine (1:1) used for?

Known uses and roles of Benzoic acid, compd. with cyclohexanamine (1:1) include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Benzoic acid, compd. with cyclohexanamine (1:1) hazardous?

Benzoic acid, compd. with cyclohexanamine (1:1) carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Benzoic acid, compd. with cyclohexanamine (1:1)?

Benzoic acid, compd. with cyclohexanamine (1:1) is usually classified under HS code 291631 (Benzoic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Benzoic acid, compd. with cyclohexanamine (1:1)?

CompoundList lists 4 suppliers of Benzoic acid, compd. with cyclohexanamine (1:1) in United States, Canada and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Benzoic acid, compd. with cyclohexanamine (1:1) in India?

1 supplier in India list Benzoic acid, compd. with cyclohexanamine (1:1) on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Benzoic acid, compd. with cyclohexanamine (1:1)?

Suppliers quote Benzoic acid, compd. with cyclohexanamine (1:1) 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 Benzoic acid, compd. with cyclohexanamine (1:1)

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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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