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Heterocyclic building blocks

Aporphine

Also known as 5,6,6a,7-tetrahydro-6-methyl-4H-Dibenzo(de,g)quinoline, 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-6-methyl-, 6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

CAS 478-57-9Formula C17H17NMolar mass 235.33 g/mol
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Aporphine chemical structure, C17H17N, CAS 478-57-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
478-57-9
Formula
C17H17N
Molar mass
235.33 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Aporphine?

Plain description, key identifiers and synonyms

Aporphine is an isoquinoline alkaloid that is the N-methyl derivative of 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline. It is an aporphine alkaloid, an isoquinoline alkaloid fundamental parent and a tertiary amino compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CAS number
478-57-9 CAS number cross-checked
Molecular formula
C17H17N
UNII
13NS2KTD6H
InChIKey
BZKUYNBAFQJRDM-UHFFFAOYSA-N
InChI
InChI=1S/C17H17N/c1-18-10-9-12-6-4-8-15-14-7-3-2-5-13(14)11-16(18)17(12)15/h2-8,16H,9-11H2,1H3
SMILES (canonical and isomeric)
CN1CCC2=C3C1CC4=CC=CC=C4C3=CC=C2

Synonyms

  • 5,6,6a,7-tetrahydro-6-methyl-4H-Dibenzo(de,g)quinoline
  • 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-6-methyl-
  • 6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
  • 4H-Dibenzo[de,g]quinoline,5,6,6a,7-tetrahydro-6-methyl-
  • 6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline
  • 6-Methylnoraporphine
  • (+/-)-Aporphine
  • Aporphine, (+/-)-

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
235.33 g/molcalc.
Exact mass
235.1361 Dacalc.
LogP (octanol/water)
3.44calc.
Topological polar surface area
3.24 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
18calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc2c(c1)CC1NCCc3cccc-2c31

c1ccc2c(c1)CC1NCCc3cccc-2c31

4 rings, 17 atoms.

289 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.

Aporphine suppliers

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Aporphine 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 Aporphine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Aporphine, based on the data on this page

What is Aporphine?

Aporphine is an isoquinoline alkaloid that is the N-methyl derivative of 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline. It is an aporphine alkaloid, an isoquinoline alkaloid fundamental parent and a tertiary amino compound.

What is the CAS number of Aporphine?

The CAS registry number of Aporphine is 478-57-9.

What is the molecular formula and weight of Aporphine?

The molecular formula of Aporphine is C17H17N and its molar mass is 235.33 g/mol.

What is Aporphine used for?

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

Is Aporphine hazardous?

No GHS hazard classification for Aporphine 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 Aporphine?

Aporphine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aporphine?

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

What is the price of Aporphine?

Suppliers quote Aporphine 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 Aporphine

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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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