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Screening compounds

BE 18591

Also known as N-dodecyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine, N-dodecyl-1-(3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl)methanimine, (Z)-N-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-1-dodecanamine

CAS 147138-01-0Formula C22H35N3OMolar mass 357.54 g/mol
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BE 18591 chemical structure, C22H35N3O, CAS 147138-01-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
147138-01-0
Formula
C22H35N3O
Molar mass
357.54 g/mol
HS code
293399
Category
Screening compounds

What is BE 18591?

Plain description, key identifiers and synonyms

BE-18591 is an aromatic ether.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-dodecyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
CAS number
147138-01-0
Molecular formula
C22H35N3O
InChIKey
YGDMZCDTTXTBHS-UHFFFAOYSA-N
InChI
InChI=1S/C22H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-23-18-21-22(26-2)17-20(25-21)19-14-13-16-24-19/h13-14,16-18,24-25H,3-12,15H2,1-2H3
SMILES (canonical and isomeric)
CCCCCCCCCCCCN=CC1=C(C=C(N1)C2=CC=CN2)OC

Synonyms

  • N-dodecyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
  • N-dodecyl-1-(3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl)methanimine
  • (Z)-N-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-1-dodecanamine
  • 1-Dodecanamine, N-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-, (Z)-

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
357.54 g/molcalc.
Exact mass
357.278 Dacalc.
LogP (octanol/water)
6.36calc.
Topological polar surface area
53.17 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
14calc.
Heavy atoms
26calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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, c1c[nH]c(-c2ccc[nH]2)c1

c1c[nH]c(-c2ccc[nH]2)c1

2 rings, 10 atoms, the 2,2'-Bipyrrole ring system.

34 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.

BE 18591 suppliers

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BE 18591 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 BE 18591 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for BE 18591 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about BE 18591, based on the data on this page

What is BE 18591?

BE-18591 is an aromatic ether.

What is the CAS number of BE 18591?

The CAS registry number of BE 18591 is 147138-01-0.

What is the molecular formula and weight of BE 18591?

The molecular formula of BE 18591 is C22H35N3O and its molar mass is 357.54 g/mol.

What is BE 18591 used for?

Known uses and roles of BE 18591 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is BE 18591 hazardous?

No GHS hazard classification for BE 18591 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 BE 18591?

BE 18591 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy BE 18591?

Post a free request on CompoundList and suppliers of BE 18591 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of BE 18591?

Suppliers quote BE 18591 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 BE 18591

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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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