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Screening compounds

Escholamine iodide

Also known as 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium, iodide

CAS 30331-75-0Formula C19H16INO4Molar mass 449.24 g/mol
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Escholamine iodide chemical structure, C19H16INO4, CAS 30331-75-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
30331-75-0
Formula
C19H16INO4
Molar mass
449.24 g/mol
HS code
293499
Category
Screening compounds

What is Escholamine iodide?

Plain description, key identifiers and synonyms

Escholamine iodide is a chemical substance with the molecular formula C19H16INO4 and a molar mass of 449.24 g/mol. Its CAS registry number is 30331-75-0. The IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
CAS number
30331-75-0
Molecular formula
C19H16INO4
InChIKey
UYBIHBWVGXQEJG-UHFFFAOYSA-M
InChI
InChI=1S/C19H16NO4.HI/c1-20-5-4-13-8-18-19(24-11-23-18)9-14(13)15(20)6-12-2-3-16-17(7-12)22-10-21-16;/h2-5,7-9H,6,10-11H2,1H3;1H/q+1;/p-1
SMILES (canonical and isomeric)
C[N+]1=C(C2=CC3=C(C=C2C=C1)OCO3)CC4=CC5=C(C=C4)OCO5.[I-]

Synonyms

  • 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium, iodide

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
449.24 g/molcalc.
Exact mass
449.0124 Dacalc.
LogP (octanol/water)
-0.28calc.
Topological polar surface area
40.8 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.21calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
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, c1cc2cc3c(cc2c(Cc2ccc4c(c2)OCO4)n1)OCO3

c1cc2cc3c(cc2c(Cc2ccc4c(c2)OCO4)n1)OCO3

5 rings, 23 atoms, the 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl- ring system.

4 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.

Escholamine iodide suppliers

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

Frequently asked questions

Quick answers about Escholamine iodide, based on the data on this page

What is Escholamine iodide?

Escholamine iodide is a chemical substance with the molecular formula C19H16INO4 and a molar mass of 449.24 g/mol. Its CAS registry number is 30331-75-0. The IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide.

What is the CAS number of Escholamine iodide?

The CAS registry number of Escholamine iodide is 30331-75-0.

What is the molecular formula and weight of Escholamine iodide?

The molecular formula of Escholamine iodide is C19H16INO4 and its molar mass is 449.24 g/mol.

What is Escholamine iodide used for?

Known uses and roles of Escholamine iodide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Escholamine iodide hazardous?

No GHS hazard classification for Escholamine iodide 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 Escholamine iodide?

Escholamine iodide 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 Escholamine iodide?

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

What is the price of Escholamine iodide?

Suppliers quote Escholamine iodide 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 Escholamine iodide

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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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