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Heterocyclic building blocks

Phyllalbine

Also known as (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate, (8-methyl-8-azabicyclo(3.2.1)octan-3-yl) 4-hydroxy-3-methoxybenzoate, Fillalbin

CAS 4540-25-4Formula C16H21NO4Molar mass 291.35 g/mol
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Phyllalbine chemical structure, C16H21NO4, CAS 4540-25-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4540-25-4
Formula
C16H21NO4
Molar mass
291.35 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Phyllalbine?

Plain description, key identifiers and synonyms

Phyllalbine is a methoxybenzoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate
CAS number
4540-25-4 CAS number cross-checked
Molecular formula
C16H21NO4
InChIKey
OZKTVDIYALBSMA-UHFFFAOYSA-N
InChI
InChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3
SMILES (canonical and isomeric)
CN1C2CCC1CC(C2)OC(=O)C3=CC(=C(C=C3)O)OC

Synonyms

  • (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate
  • (8-methyl-8-azabicyclo(3.2.1)octan-3-yl) 4-hydroxy-3-methoxybenzoate
  • Fillalbin
  • 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 4-hydroxy-3-methoxybenzoate
  • (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxy-benzoate
  • 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 4-hydroxy-3-methoxybenzoate
  • Fillalbin 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 4-hydroxy-3-methoxybenzoate

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
291.35 g/molcalc.
Exact mass
291.1471 Dacalc.
LogP (octanol/water)
2.18calc.
Topological polar surface area
59 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
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, O=C(OC1CC2CCC(C1)N2)c1ccccc1

O=C(OC1CC2CCC(C1)N2)c1ccccc1

3 rings, 17 atoms.

125 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.

Phyllalbine suppliers

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Phyllalbine 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 Phyllalbine 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 Phyllalbine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Phyllalbine?

Phyllalbine is a methoxybenzoic acid.

What is the CAS number of Phyllalbine?

The CAS registry number of Phyllalbine is 4540-25-4.

What is the molecular formula and weight of Phyllalbine?

The molecular formula of Phyllalbine is C16H21NO4 and its molar mass is 291.35 g/mol.

What is Phyllalbine used for?

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

Is Phyllalbine hazardous?

No GHS hazard classification for Phyllalbine 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 Phyllalbine?

Phyllalbine 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 Phyllalbine?

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

What is the price of Phyllalbine?

Suppliers quote Phyllalbine 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 Phyllalbine

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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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