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Aromatic building blocks

Isoproscaline

Also known as 2-(4-Isopropoxy-3,5-dimethoxyphenyl)ethanamine, 4-Isopropyl-3,5-dimethoxyphenethylamine, Benzeneethanamine, 3,5-dimethoxy-4-(1-methylethoxy)-

CAS 64778-72-9Formula C13H21NO3Molar mass 239.32 g/mol
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Isoproscaline chemical structure, C13H21NO3, CAS 64778-72-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64778-72-9
Formula
C13H21NO3
Molar mass
239.32 g/mol
HS code
292229
Category
Aromatic building blocks

What is Isoproscaline?

Plain description, key identifiers and synonyms

Isoproscaline is a phenethylamine drug, analogue of mescalin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)ethanamine
CAS number
64778-72-9 CAS number cross-checked
Molecular formula
C13H21NO3
UNII
7W67II88GC
InChIKey
UBNHYNYMUORHAM-UHFFFAOYSA-N
InChI
InChI=1S/C13H21NO3/c1-9(2)17-13-11(15-3)7-10(5-6-14)8-12(13)16-4/h7-9H,5-6,14H2,1-4H3
SMILES (canonical and isomeric)
CC(C)OC1=C(C=C(C=C1OC)CCN)OC

Synonyms

  • 2-(4-Isopropoxy-3,5-dimethoxyphenyl)ethanamine
  • 4-Isopropyl-3,5-dimethoxyphenethylamine
  • Benzeneethanamine, 3,5-dimethoxy-4-(1-methylethoxy)-
  • 2-(4-Isopropoxy-3,5-dimethoxy-phenyl)-ethylamine
  • 3,5-Dimethoxy-4-(1-methylethoxy)benzeneethanamine
  • 2-[3,5-dimethoxy-4-(propan-2-yloxy)phenyl]ethan-1-amine
  • 2-(3,5-dimethoxy-4-propan-2-yloxyphenyl)ethanamine
  • Ip (psychedelic)
  • 4-isopropoxy-3,5-dimethoxyphenethylamine
  • 2-{3,5-Dimethoxy-4-[(propan-2-yl)oxy]phenyl}ethan-1-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
239.32 g/molcalc.
Exact mass
239.1521 Dacalc.
LogP (octanol/water)
1.99calc.
Topological polar surface area
53.71 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
17calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.54calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Isoproscaline suppliers

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Isoproscaline 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 Isoproscaline is traded under.

HS 2922.29Indicative HS code

Amino-naphthols and other amino-phenols, other than those containing more than one kind…

World exports in 2024
$467M
−15.3% vs 2023, imports $454M
2019 to 2024
Top exporters
  1. China63.1%
  2. India * partner reported15.5%
  3. Japan4.0%
Top importers
  1. India * partner reported25.8%
  2. United States14.4%
  3. South Korea7.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Isoproscaline, based on the data on this page

What is Isoproscaline?

Isoproscaline is a phenethylamine drug, analogue of mescalin.

What is the CAS number of Isoproscaline?

The CAS registry number of Isoproscaline is 64778-72-9.

What is the molecular formula and weight of Isoproscaline?

The molecular formula of Isoproscaline is C13H21NO3 and its molar mass is 239.32 g/mol.

What is Isoproscaline used for?

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

Is Isoproscaline hazardous?

No GHS hazard classification for Isoproscaline 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 Isoproscaline?

Isoproscaline is usually classified under HS code 292229 (Amino-naphthols and other amino-phenols, other than those containing more than one kind…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isoproscaline?

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

What is the price of Isoproscaline?

Suppliers quote Isoproscaline 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 Isoproscaline

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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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