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Heterocyclic building blocks

Aphylline alcohol

Also known as {(1R,9aS)-3-[(2R)-Piperidin-2-yl]octahydro-2H-quinolizin-1-yl}methanol

CAS 643-90-3Formula C15H28N2OMolar mass 252.40 g/mol
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Aphylline alcohol chemical structure, C15H28N2O, CAS 643-90-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
643-90-3
Formula
C15H28N2O
Molar mass
252.40 g/mol
HS code
293339
Category
Heterocyclic building blocks

What is Aphylline alcohol?

Plain description, key identifiers and synonyms

Aphylline alcohol is a chemical substance with the molecular formula C15H28N2O and a molar mass of 252.40 g/mol. Its CAS registry number is 643-90-3. The IUPAC name is [(1R,3S,9aS)-3-[(2R)-piperidin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,3S,9aS)-3-[(2R)-piperidin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol
CAS number
643-90-3
Molecular formula
C15H28N2O
InChIKey
YAHZOXLTJGMIEY-XQLPTFJDSA-N
InChI
InChI=1S/C15H28N2O/c18-11-13-9-12(14-5-1-3-7-16-14)10-17-8-4-2-6-15(13)17/h12-16,18H,1-11H2/t12-,13-,14+,15-/m0/s1
Canonical SMILES
OCC1CC(C2CCCCN2)CN2CCCCC12
Isomeric SMILES
C1CCN[C@H](C1)[C@H]2C[C@H]([C@@H]3CCCCN3C2)CO

Synonyms

  • {(1R,9aS)-3-[(2R)-Piperidin-2-yl]octahydro-2H-quinolizin-1-yl}methanol

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
252.40 g/molcalc.
Exact mass
252.2202 Dacalc.
LogP (octanol/water)
1.61calc.
Topological polar surface area
35.5 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
18calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
4calc.
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, C1CCC(C2CCC3CCCCN3C2)NC1

C1CCC(C2CCC3CCCCN3C2)NC1

3 rings, 16 atoms.

3 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.

Aphylline alcohol suppliers

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Aphylline alcohol 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

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 Aphylline alcohol is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Aphylline alcohol, based on the data on this page

What is Aphylline alcohol?

Aphylline alcohol is a chemical substance with the molecular formula C15H28N2O and a molar mass of 252.40 g/mol. Its CAS registry number is 643-90-3. The IUPAC name is [(1R,3S,9aS)-3-[(2R)-piperidin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol.

What is the CAS number of Aphylline alcohol?

The CAS registry number of Aphylline alcohol is 643-90-3.

What is the molecular formula and weight of Aphylline alcohol?

The molecular formula of Aphylline alcohol is C15H28N2O and its molar mass is 252.40 g/mol.

What is Aphylline alcohol used for?

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

Is Aphylline alcohol hazardous?

No GHS hazard classification for Aphylline alcohol 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 Aphylline alcohol?

Aphylline alcohol is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aphylline alcohol?

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

What is the price of Aphylline alcohol?

Suppliers quote Aphylline alcohol 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 Aphylline alcohol

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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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