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Impurities and reference standards

Caffeine impurity 17

Also known as 1,7,9-trimethyl-2,6-dioxo-1,2,6,9-tetrahydropurin-7-ium-3-ide

CAS 5752-19-2Formula C8H10N4O2Molar mass 194.19 g/mol
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Caffeine impurity 17 chemical structure, C8H10N4O2, CAS 5752-19-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5752-19-2
Formula
C8H10N4O2
Molar mass
194.19 g/mol
HS code
293359
Category
Impurities and reference standards

What is Caffeine impurity 17?

Plain description, key identifiers and synonyms

Caffeine impurity 17 is a chemical substance with the molecular formula C8H10N4O2 and a molar mass of 194.19 g/mol. Its CAS registry number is 5752-19-2. The IUPAC name is 1,7,9-trimethyl-6-oxopurin-9-ium-2-olate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,7,9-trimethyl-6-oxopurin-9-ium-2-olate
CAS number
5752-19-2
Molecular formula
C8H10N4O2
InChIKey
GPDTYMGBFFDFID-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N4O2/c1-10-4-11(2)6-5(10)7(13)12(3)8(14)9-6/h4H,1-3H3
SMILES (canonical and isomeric)
CN1C=[N+](C2=C1C(=O)N(C(=N2)[O-])C)C

Synonyms

  • 1,7,9-trimethyl-2,6-dioxo-1,2,6,9-tetrahydropurin-7-ium-3-ide

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
194.19 g/molcalc.
Exact mass
194.0804 Dacalc.
LogP (octanol/water)
-1.83calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
14calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
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, O=c1[nH]cnc2nc[nH]c12

O=c1[nH]cnc2nc[nH]c12

2 rings, 10 atoms, the Hypoxanthine ring system.

586 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.

Caffeine impurity 17 suppliers

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Caffeine impurity 17 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Caffeine impurity 17 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 Caffeine impurity 17 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Caffeine impurity 17, based on the data on this page

What is Caffeine impurity 17?

Caffeine impurity 17 is a chemical substance with the molecular formula C8H10N4O2 and a molar mass of 194.19 g/mol. Its CAS registry number is 5752-19-2. The IUPAC name is 1,7,9-trimethyl-6-oxopurin-9-ium-2-olate.

What is the CAS number of Caffeine impurity 17?

The CAS registry number of Caffeine impurity 17 is 5752-19-2.

What is the molecular formula and weight of Caffeine impurity 17?

The molecular formula of Caffeine impurity 17 is C8H10N4O2 and its molar mass is 194.19 g/mol.

Is Caffeine impurity 17 hazardous?

No GHS hazard classification for Caffeine impurity 17 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 Caffeine impurity 17?

Caffeine impurity 17 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 Caffeine impurity 17?

Post a free request on CompoundList and suppliers of Caffeine impurity 17 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Caffeine impurity 17?

Suppliers quote Caffeine impurity 17 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 Caffeine impurity 17

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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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