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Heterocyclic building blocks

4-Hydroxyritalinic acid

Also known as alpha-(4-Hydroxyphenyl)-2-piperidineacetic acid, (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetic acid, (R*,R*)-(+-)-alpha-(4-Hydroxyphenyl)-2-piperidineacetic acid

CAS 54593-32-7Formula C13H17NO3Molar mass 235.28 g/mol
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4-Hydroxyritalinic acid chemical structure, C13H17NO3, CAS 54593-32-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
54593-32-7
Formula
C13H17NO3
Molar mass
235.28 g/mol
HS code
293339
Category
Heterocyclic building blocks

What is 4-Hydroxyritalinic acid?

Plain description, key identifiers and synonyms

4-Hydroxyritalinic acid is a chemical substance with the molecular formula C13H17NO3 and a molar mass of 235.28 g/mol. Its CAS registry number is 54593-32-7. The IUPAC name is (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetic acid
CAS number
54593-32-7 CAS number cross-checked
Molecular formula
C13H17NO3
InChIKey
RONUHFNRYTWMCI-VXGBXAGGSA-N
InChI
InChI=1S/C13H17NO3/c15-10-6-4-9(5-7-10)12(13(16)17)11-3-1-2-8-14-11/h4-7,11-12,14-15H,1-3,8H2,(H,16,17)/t11-,12-/m1/s1
Canonical SMILES
O=C(O)C(c1ccc(O)cc1)C1CCCCN1
Isomeric SMILES
C1CCN[C@H](C1)[C@@H](C2=CC=C(C=C2)O)C(=O)O

Synonyms

  • alpha-(4-Hydroxyphenyl)-2-piperidineacetic acid
  • (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetic acid
  • (R*,R*)-(+-)-alpha-(4-Hydroxyphenyl)-2-piperidineacetic acid
  • (2R)-(4-Hydroxyphenyl)[(2R)-piperidin-2-yl]acetic acid
  • 2-Piperidineacetic acid, alpha-(4-hydroxyphenyl)-, (R*,R*)-(+-)-

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
235.28 g/molcalc.
Exact mass
235.1208 Dacalc.
LogP (octanol/water)
1.7calc.
Topological polar surface area
69.56 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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, c1ccc(CC2CCCCN2)cc1

c1ccc(CC2CCCCN2)cc1

2 rings, 13 atoms, the 2-Benzylpiperidine ring system.

261 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.

4-Hydroxyritalinic acid suppliers

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4-Hydroxyritalinic acid 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 4-Hydroxyritalinic acid 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 4-Hydroxyritalinic acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4-Hydroxyritalinic acid, based on the data on this page

What is 4-Hydroxyritalinic acid?

4-Hydroxyritalinic acid is a chemical substance with the molecular formula C13H17NO3 and a molar mass of 235.28 g/mol. Its CAS registry number is 54593-32-7. The IUPAC name is (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetic acid.

What is the CAS number of 4-Hydroxyritalinic acid?

The CAS registry number of 4-Hydroxyritalinic acid is 54593-32-7.

What is the molecular formula and weight of 4-Hydroxyritalinic acid?

The molecular formula of 4-Hydroxyritalinic acid is C13H17NO3 and its molar mass is 235.28 g/mol.

What is 4-Hydroxyritalinic acid used for?

Known uses and roles of 4-Hydroxyritalinic acid include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 4-Hydroxyritalinic acid hazardous?

No GHS hazard classification for 4-Hydroxyritalinic acid 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 4-Hydroxyritalinic acid?

4-Hydroxyritalinic acid 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 4-Hydroxyritalinic acid?

Post a free request on CompoundList and suppliers of 4-Hydroxyritalinic acid will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 4-Hydroxyritalinic acid?

Suppliers quote 4-Hydroxyritalinic acid 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 4-Hydroxyritalinic acid

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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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