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Builders and chelating agents

Fe-BABE

CAS 186136-50-5Formula C19H20BrFeN3O9+Molar mass 570.13 g/mol
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Fe-BABE chemical structure, C19H20BrFeN3O9+, CAS 186136-50-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
186136-50-5
Formula
C19H20BrFeN3O9+
Molar mass
570.13 g/mol
HS code
292429
Category
Builders and chelating agents

What is Fe-BABE?

Plain description, key identifiers and synonyms

Fe-BABE is a chemical substance with the molecular formula C19H20BrFeN3O9+ and a molar mass of 570.13 g/mol. Its CAS registry number is 186136-50-5. The IUPAC name is 2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl]propyl]-(carboxylatomethyl)amino]acetate, iron(5+).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl]propyl]-(carboxylatomethyl)amino]acetate, iron(5+)
CAS number
186136-50-5
Molecular formula
C19H20BrFeN3O9+
MDL number
MFCD04040039
InChIKey
LBSWIEHBONRDKI-UHFFFAOYSA-J
InChI
InChI=1S/C19H24BrN3O9.Fe/c20-6-15(24)21-13-3-1-12(2-4-13)5-14(23(10-18(29)30)11-19(31)32)7-22(8-16(25)26)9-17(27)28;/h1-4,14H,5-11H2,(H,21,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32);/q;+5/p-4
SMILES (canonical and isomeric)
C1=CC(=CC=C1CC(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])NC(=O)CBr.[Fe+5]

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
570.13 g/molcalc.
Exact mass
568.9727 Dacalc.
LogP (octanol/water)
-5.47calc.
Topological polar surface area
196.1 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
15calc.
Heavy atoms
33calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.42calc.
Formal charge
1calc.
Stereocentres
1calc.
Components
2calc.
Lipinski rule of five
Fails (2 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.

Fe-BABE suppliers

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Fe-BABE 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 Fe-BABE is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Fe-BABE, based on the data on this page

What is Fe-BABE?

Fe-BABE is a chemical substance with the molecular formula C19H20BrFeN3O9+ and a molar mass of 570.13 g/mol. Its CAS registry number is 186136-50-5. The IUPAC name is 2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl]propyl]-(carboxylatomethyl)amino]acetate, iron(5+).

What is the CAS number of Fe-BABE?

The CAS registry number of Fe-BABE is 186136-50-5.

What is the molecular formula and weight of Fe-BABE?

The molecular formula of Fe-BABE is C19H20BrFeN3O9+ and its molar mass is 570.13 g/mol.

What is Fe-BABE used for?

Known uses and roles of Fe-BABE include builders and chelants in home care and cleaning.

Is Fe-BABE hazardous?

No GHS hazard classification for Fe-BABE 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 Fe-BABE?

Fe-BABE is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Fe-BABE?

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

What is the price of Fe-BABE?

Suppliers quote Fe-BABE 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 Fe-BABE

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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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