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Builders and chelating agents

Bopta

Also known as 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylmethoxypropanoic acid, 4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oic acid, (9r,s)-2,5,8-tris(carboxymethyl)-12-phenyl-11-oxa-2,5,8-triazadodecane-1,9-dicarboxylic acid

CAS 113786-33-7Formula C22H31N3O11Molar mass 513.50 g/molEC 426-360-2
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Bopta chemical structure, C22H31N3O11, CAS 113786-33-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
113786-33-7
Formula
C22H31N3O11
Molar mass
513.50 g/mol
EC number
426-360-2
HS code
292250
Category
Builders and chelating agents

What is Bopta?

Plain description, key identifiers and synonyms

Bopta is a chemical substance with the molecular formula C22H31N3O11 and a molar mass of 513.50 g/mol. Its CAS registry number is 113786-33-7. The IUPAC name is 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylmethoxypropanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylmethoxypropanoic acid
CAS number
113786-33-7 CAS number cross-checked
EC numbers
426-360-2, 680-377-1
Molecular formula
C22H31N3O11
MDL number
MFCD35597905
InChIKey
OEIYJWYTUDFZBH-UHFFFAOYSA-N
InChI
InChI=1S/C22H31N3O11/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)
SMILES (canonical and isomeric)
C1=CC=C(C=C1)COCC(C(=O)O)N(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Synonyms

  • 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylmethoxypropanoic acid
  • 4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oic acid
  • (9r,s)-2,5,8-tris(carboxymethyl)-12-phenyl-11-oxa-2,5,8-triazadodecane-1,9-dicarboxylic acid
  • 2,2 inverted exclamation mark -[1,9-Dicarboxy-2-(carboxymethyl)-12-phenyl-11-oxa-2,5,8-triazadodecane-5,8-diyl]diacetic Acid
  • 2,2'-(1,9-Dicarboxy-2-(carboxymethyl)-12-phenyl-11-oxa-2,5,8-triazadodecane-5,8-diyl)diacetic Acid
  • O-Benzyl-N-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-N-(carboxymethyl)serine

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
513.50 g/molcalc.
Exact mass
513.1959 Dacalc.
LogP (octanol/water)
-1.1calc.
Topological polar surface area
205.5 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
20calc.
Heavy atoms
36calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
1calc.
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, 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.

Bopta suppliers

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

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Bopta 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

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 Bopta is traded under.

HS 2922.50Indicative HS code

Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function

World exports in 2024
$3.29B
−5.9% vs 2023, imports $3.19B
2019 to 2024
Top exporters
  1. China39.2%
  2. United Kingdom27.1%
  3. India * partner reported4.8%
Top importers
  1. United States20.7%
  2. Germany7.6%
  3. Italy6.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Bopta?

Bopta is a chemical substance with the molecular formula C22H31N3O11 and a molar mass of 513.50 g/mol. Its CAS registry number is 113786-33-7. The IUPAC name is 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylmethoxypropanoic acid.

What is the CAS number of Bopta?

The CAS registry number of Bopta is 113786-33-7.

What is the molecular formula and weight of Bopta?

The molecular formula of Bopta is C22H31N3O11 and its molar mass is 513.50 g/mol.

What is Bopta used for?

Known uses and roles of Bopta include builders and chelants in home care and cleaning.

Is Bopta hazardous?

No GHS hazard classification for Bopta 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 Bopta?

Bopta is usually classified under HS code 292250 (Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bopta?

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

What is the price of Bopta?

Suppliers quote Bopta 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 Bopta

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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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