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Aromatic building blocks

3-Hexylaniline

Also known as Benzeneamine, 3-hexyl-, 3-hexylbenzenaMine, Benzenamine, 3-hexyl-

CAS 36042-29-2Formula C12H19NMolar mass 177.29 g/mol
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3-Hexylaniline chemical structure, C12H19N, CAS 36042-29-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
36042-29-2
Formula
C12H19N
Molar mass
177.29 g/mol
HS code
292142
Category
Aromatic building blocks

What is 3-Hexylaniline?

Plain description, key identifiers and synonyms

3-Hexylaniline is a chemical substance with the molecular formula C12H19N and a molar mass of 177.29 g/mol. Its CAS registry number is 36042-29-2.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-hexylaniline
CAS number
36042-29-2 CAS number cross-checked
Molecular formula
C12H19N
MDL number
MFCD20257241
InChIKey
DNKCZIYEBRERBA-UHFFFAOYSA-N
InChI
InChI=1S/C12H19N/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h6,8-10H,2-5,7,13H2,1H3
SMILES (canonical and isomeric)
CCCCCCC1=CC(=CC=C1)N

Synonyms

  • Benzeneamine, 3-hexyl-
  • 3-hexylbenzenaMine
  • Benzenamine, 3-hexyl-
  • 3-Hexylaniline #

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
177.29 g/molcalc.
Exact mass
177.1518 Dacalc.
LogP (octanol/water)
3.39calc.
Topological polar surface area
26.02 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
5calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
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 Benzene ring system.

485,677 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.

3-Hexylaniline suppliers

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No supplier listings yet

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3-Hexylaniline price

Indicative price range per kg from live supplier offers

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Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 3-Hexylaniline is traded under.

HS 2921.42Indicative HS code

Aniline derivatives and their salts

World exports in 2024
$495M
−2.5% vs 2023, imports $440M
2019 to 2024
Top exporters
  1. China69.8%
  2. India * partner reported19.6%
  3. Japan3.3%
Top importers
  1. Pakistan17.0%
  2. United Arab Emirates * partner reported12.7%
  3. Brazil10.9%

* Partner reported figures, a lower bound.

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

The HS code shown for 3-Hexylaniline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Hexylaniline, based on the data on this page

What is 3-Hexylaniline?

3-Hexylaniline is a chemical substance with the molecular formula C12H19N and a molar mass of 177.29 g/mol. Its CAS registry number is 36042-29-2.

What is the CAS number of 3-Hexylaniline?

The CAS registry number of 3-Hexylaniline is 36042-29-2.

What is the molecular formula and weight of 3-Hexylaniline?

The molecular formula of 3-Hexylaniline is C12H19N and its molar mass is 177.29 g/mol.

What is 3-Hexylaniline used for?

Known uses and roles of 3-Hexylaniline include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3-Hexylaniline hazardous?

No GHS hazard classification for 3-Hexylaniline 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 3-Hexylaniline?

3-Hexylaniline is usually classified under HS code 292142 (Aniline derivatives and their salts). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-Hexylaniline?

Post a free request on CompoundList and suppliers of 3-Hexylaniline will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Hexylaniline?

Suppliers quote 3-Hexylaniline 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 3-Hexylaniline

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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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