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Heterocyclic building blocks

ortho-Topolin

Also known as 2-(((9H-Purin-6-yl)amino)methyl)phenol, 2-[(7H-purin-6-ylamino)methyl]phenol, Phenol, 2-[(1H-purin-6-ylamino)methyl]-

CAS 20366-83-0Formula C12H11N5OMolar mass 241.25 g/mol
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ortho-Topolin chemical structure, C12H11N5O, CAS 20366-83-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
20366-83-0
Formula
C12H11N5O
Molar mass
241.25 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is ortho-Topolin?

Plain description, key identifiers and synonyms

ortho-Topolin is a chemical substance with the molecular formula C12H11N5O and a molar mass of 241.25 g/mol. Its CAS registry number is 20366-83-0. The IUPAC name is 2-[(7H-purin-6-ylamino)methyl]phenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(7H-purin-6-ylamino)methyl]phenol
CAS number
20366-83-0 CAS number cross-checked
Molecular formula
C12H11N5O
MDL number
MFCD18641954
InChIKey
AKOVXPNRITVXAR-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N5O/c18-9-4-2-1-3-8(9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)
SMILES (canonical and isomeric)
C1=CC=C(C(=C1)CNC2=NC=NC3=C2NC=N3)O

Synonyms

  • 2-(((9H-Purin-6-yl)amino)methyl)phenol
  • 2-[(7H-purin-6-ylamino)methyl]phenol
  • Phenol, 2-[(1H-purin-6-ylamino)methyl]-
  • Phenol, 2-[(9H-purin-6-ylamino)methyl]-
  • 6-(2-hydroxybenzylamino)purine
  • 2-{[(7H-purin-6-yl)amino]methyl}phenol

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
241.25 g/molcalc.
Exact mass
241.0964 Dacalc.
LogP (octanol/water)
1.67calc.
Topological polar surface area
86.72 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
18calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.08calc.
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, c1ccc(CNc2ncnc3[nH]cnc23)cc1

c1ccc(CNc2ncnc3[nH]cnc23)cc1

3 rings, 17 atoms, the Benzylaminopurine ring system.

124 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.

ortho-Topolin suppliers

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ortho-Topolin 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 ortho-Topolin is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about ortho-Topolin, based on the data on this page

What is ortho-Topolin?

ortho-Topolin is a chemical substance with the molecular formula C12H11N5O and a molar mass of 241.25 g/mol. Its CAS registry number is 20366-83-0. The IUPAC name is 2-[(7H-purin-6-ylamino)methyl]phenol.

What is the CAS number of ortho-Topolin?

The CAS registry number of ortho-Topolin is 20366-83-0.

What is the molecular formula and weight of ortho-Topolin?

The molecular formula of ortho-Topolin is C12H11N5O and its molar mass is 241.25 g/mol.

What is ortho-Topolin used for?

Known uses and roles of ortho-Topolin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is ortho-Topolin hazardous?

No GHS hazard classification for ortho-Topolin 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 ortho-Topolin?

ortho-Topolin is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy ortho-Topolin?

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

What is the price of ortho-Topolin?

Suppliers quote ortho-Topolin 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 ortho-Topolin

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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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