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Builders and chelating agents

Lilo

Also known as 1,3-Bis(N-(N-(2-aminoethyl)-2-aminoethyl)-2-aminoacetamido)-2-(4-isothiocyanatobenzyl)propane-N,N,N',N'',N''',N'''',N''''',N'''''-octaaceticacid, 3,6,9,19,22,25-Hexakis(carboxymethyl)-14-((4-isothiocyanatophenyl)methyl)-11,17-dioxo-3,6,9,12,16,19,22,25-octaazaheptacosanedioic acid, 3,6,9,12,16,19,22,25-Octaazaheptacosanedioic acid, 3,6,9,19,22,25-hexakis(carboxymethyl)-14-((4-isothiocyanatophenyl)methyl)-11,17-dioxo-

CAS 134439-56-8Formula C39H57N9O18SMolar mass 972.00 g/mol
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Lilo chemical structure, C39H57N9O18S, CAS 134439-56-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
134439-56-8
Formula
C39H57N9O18S
Molar mass
972.00 g/mol
HS code
293090
Category
Builders and chelating agents

What is Lilo?

Plain description, key identifiers and synonyms

Lilo is a chemical substance with the molecular formula C39H57N9O18S and a molar mass of 972.00 g/mol. Its CAS registry number is 134439-56-8. The IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[2-[[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]methyl]-3-(4-isothiocyanatophenyl)propyl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[2-[[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]methyl]-3-(4-isothiocyanatophenyl)propyl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
CAS number
134439-56-8 CAS number cross-checked
Molecular formula
C39H57N9O18S
InChIKey
OWFPZFPOOSUIIA-UHFFFAOYSA-N
InChI
InChI=1S/C39H57N9O18S/c49-30(16-45(20-34(55)56)9-5-43(18-32(51)52)7-11-47(22-36(59)60)23-37(61)62)40-14-28(13-27-1-3-29(4-2-27)42-26-67)15-41-31(50)17-46(21-35(57)58)10-6-44(19-33(53)54)8-12-48(24-38(63)64)25-39(65)66/h1-4,28H,5-25H2,(H,40,49)(H,41,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)
SMILES (canonical and isomeric)
C1=CC(=CC=C1CC(CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)N=C=S

Synonyms

  • 1,3-Bis(N-(N-(2-aminoethyl)-2-aminoethyl)-2-aminoacetamido)-2-(4-isothiocyanatobenzyl)propane-N,N,N',N'',N''',N'''',N''''',N'''''-octaaceticacid
  • 3,6,9,19,22,25-Hexakis(carboxymethyl)-14-((4-isothiocyanatophenyl)methyl)-11,17-dioxo-3,6,9,12,16,19,22,25-octaazaheptacosanedioic acid
  • 3,6,9,12,16,19,22,25-Octaazaheptacosanedioic acid, 3,6,9,19,22,25-hexakis(carboxymethyl)-14-((4-isothiocyanatophenyl)methyl)-11,17-dioxo-
  • 3,6,9,19,22,25-Hexakis(carboxymethyl)-14-[(4-isothiocyanatophenyl)methyl]-11,17-dioxo-3,6,9,12,16,19,22,25-octaazaheptacosane-1,27-dioic acid

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
972.00 g/molcalc.
Exact mass
971.3542 Dacalc.
LogP (octanol/water)
-3.7calc.
Topological polar surface area
388.4 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
39calc.
Heavy atoms
67calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (3 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.

Lilo suppliers

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Lilo 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 Lilo is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Lilo?

Lilo is a chemical substance with the molecular formula C39H57N9O18S and a molar mass of 972.00 g/mol. Its CAS registry number is 134439-56-8.

What is the CAS number of Lilo?

The CAS registry number of Lilo is 134439-56-8.

What is the molecular formula and weight of Lilo?

The molecular formula of Lilo is C39H57N9O18S and its molar mass is 972.00 g/mol.

What is Lilo used for?

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

Is Lilo hazardous?

No GHS hazard classification for Lilo 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 Lilo?

Lilo is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lilo?

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

What is the price of Lilo?

Suppliers quote Lilo 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 Lilo

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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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