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Nucleosides and nucleotides

Chlor-IPA

Also known as N-[(2E)-3-Chlorobut-2-en-1-yl]-9-pentofuranosyl-9H-purin-6-amine

CAS 30561-97-8Formula C14H18ClN5O4Molar mass 355.78 g/mol
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Chlor-IPA chemical structure, C14H18ClN5O4, CAS 30561-97-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
30561-97-8
Formula
C14H18ClN5O4
Molar mass
355.78 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Chlor-IPA?

Plain description, key identifiers and synonyms

Chlor-IPA is a chemical substance with the molecular formula C14H18ClN5O4 and a molar mass of 355.78 g/mol. Its CAS registry number is 30561-97-8. The IUPAC name is 2-[6-[[(E)-3-chlorobut-2-enyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[6-[[(E)-3-chlorobut-2-enyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS number
30561-97-8 CAS number cross-checked
Molecular formula
C14H18ClN5O4
InChIKey
OIBGKMMIUNVDRK-FARCUNLSSA-N
InChI
InChI=1S/C14H18ClN5O4/c1-7(15)2-3-16-12-9-13(18-5-17-12)20(6-19-9)14-11(23)10(22)8(4-21)24-14/h2,5-6,8,10-11,14,21-23H,3-4H2,1H3,(H,16,17,18)/b7-2+
Canonical SMILES
CC(Cl)=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O
Isomeric SMILES
C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)/Cl

Synonyms

  • N-[(2E)-3-Chlorobut-2-en-1-yl]-9-pentofuranosyl-9H-purin-6-amine

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
355.78 g/molcalc.
Exact mass
355.1047 Dacalc.
LogP (octanol/water)
-0.01calc.
Topological polar surface area
125.6 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
5calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
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, c1ncc2ncn(C3CCCO3)c2n1

c1ncc2ncn(C3CCCO3)c2n1

3 rings, 14 atoms.

3,221 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.

Chlor-IPA suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Chlor-IPA price

Indicative price range per kg from live supplier offers

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Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 Chlor-IPA is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Chlor-IPA, based on the data on this page

What is Chlor-IPA?

Chlor-IPA is a chemical substance with the molecular formula C14H18ClN5O4 and a molar mass of 355.78 g/mol. Its CAS registry number is 30561-97-8. The IUPAC name is 2-[6-[[(E)-3-chlorobut-2-enyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

What is the CAS number of Chlor-IPA?

The CAS registry number of Chlor-IPA is 30561-97-8.

What is the molecular formula and weight of Chlor-IPA?

The molecular formula of Chlor-IPA is C14H18ClN5O4 and its molar mass is 355.78 g/mol.

Is Chlor-IPA hazardous?

No GHS hazard classification for Chlor-IPA 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 Chlor-IPA?

Chlor-IPA is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Chlor-IPA?

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

What is the price of Chlor-IPA?

Suppliers quote Chlor-IPA 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 Chlor-IPA

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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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