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Boronic acids and esters

Tspba

Also known as ROS-responsive crosslinker TSPBA, N1,N3-Bis(4-boronobenzyl)-N1,N1,N3,N3-tetramethylpropane-1,3-diaminium bromide, N1,N3-Bis(4-boronobenzyl)-N1,N1,N3,N3-tetramethylpropane-1,3-diaminium dibromide

CAS 2222566-33-6Formula C21H34B2Br2N2O4Molar mass 559.95 g/mol
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Tspba chemical structure, C21H34B2Br2N2O4, CAS 2222566-33-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2222566-33-6
Formula
C21H34B2Br2N2O4
Molar mass
559.95 g/mol
HS code
293190
Category
Boronic acids and esters

What is Tspba?

Plain description, key identifiers and synonyms

Tspba is a chemical substance with the molecular formula C21H34B2Br2N2O4 and a molar mass of 559.95 g/mol. Its CAS registry number is 2222566-33-6. The IUPAC name is (4-boronophenyl)methyl-[3-[(4-boronophenyl)methyl-dimethylazaniumyl]propyl]-dimethylazanium dibromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4-boronophenyl)methyl-[3-[(4-boronophenyl)methyl-dimethylazaniumyl]propyl]-dimethylazanium dibromide
CAS number
2222566-33-6
Molecular formula
C21H34B2Br2N2O4
InChIKey
UGGCAYBYPTXWGJ-UHFFFAOYSA-L
InChI
InChI=1S/C21H34B2N2O4.2BrH/c1-24(2,16-18-6-10-20(11-7-18)22(26)27)14-5-15-25(3,4)17-19-8-12-21(13-9-19)23(28)29;;/h6-13,26-29H,5,14-17H2,1-4H3;2*1H/q+2;;/p-2
SMILES (canonical and isomeric)
B(C1=CC=C(C=C1)C[N+](C)(C)CCC[N+](C)(C)CC2=CC=C(C=C2)B(O)O)(O)O.[Br-].[Br-]

Synonyms

  • ROS-responsive crosslinker TSPBA
  • N1,N3-Bis(4-boronobenzyl)-N1,N1,N3,N3-tetramethylpropane-1,3-diaminium bromide
  • N1,N3-Bis(4-boronobenzyl)-N1,N1,N3,N3-tetramethylpropane-1,3-diaminium dibromide
  • N1,N3-Bis(4-boronobenzyl)-N1,N1,N3,N3-tetramethylpropane-1,3-diaminiumbromide

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
559.95 g/molcalc.
Exact mass
558.1071 Dacalc.
LogP (octanol/water)
-6.7calc.
Topological polar surface area
80.92 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
10calc.
Heavy atoms
31calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
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, c1ccc(CNCCCNCc2ccccc2)cc1

c1ccc(CNCCCNCc2ccccc2)cc1

2 rings, 19 atoms, the N,N'-Bis(benzyl)-1,3-diaminopropane ring system.

45 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.

Tspba suppliers

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Tspba 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 Tspba is traded under.

HS 2931.90Indicative HS code

Organo-inorganic compounds, other than tetramethyl lead, tetraethyl lead, tributyltin compounds…

World exports in 2024
$3.97B
+5.3% vs 2023, imports $3.93B
2019 to 2024
Top exporters
  1. China28.3%
  2. United States15.6%
  3. Germany15.1%
Top importers
  1. United States14.6%
  2. China13.0%
  3. South Korea8.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Tspba?

Tspba is a chemical substance with the molecular formula C21H34B2Br2N2O4 and a molar mass of 559.95 g/mol. Its CAS registry number is 2222566-33-6. The IUPAC name is (4-boronophenyl)methyl-[3-[(4-boronophenyl)methyl-dimethylazaniumyl]propyl]-dimethylazanium dibromide.

What is the CAS number of Tspba?

The CAS registry number of Tspba is 2222566-33-6.

What is the molecular formula and weight of Tspba?

The molecular formula of Tspba is C21H34B2Br2N2O4 and its molar mass is 559.95 g/mol.

What is Tspba used for?

Known uses and roles of Tspba include building blocks in research and laboratory.

Is Tspba hazardous?

No GHS hazard classification for Tspba 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 Tspba?

Tspba is usually classified under HS code 293190 (X. ORGANO-INORGANIC COMPOUNDS, HETEROCYCLIC COMPOUNDS, NUCLEIC ACIDS AND THEIR SALTS…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tspba?

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What is the price of Tspba?

Suppliers quote Tspba 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 Tspba

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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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