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Amines and amides

Espas

Also known as ADPS, N-Ethyl-N-(3-sulfopropyl)-3-methoxyaniline sodium salt, N-Ethyl-N-(3-sulfopropyl)-m-anisidine sodium salt

CAS 82611-88-9Formula C12H18NNaO4SMolar mass 295.34 g/mol
3 suppliers listed
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Espas chemical structure, C12H18NNaO4S, CAS 82611-88-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
82611-88-9
Formula
C12H18NNaO4S
Molar mass
295.34 g/mol
HS code
292229
Category
Amines and amides

What is Espas?

Plain description, key identifiers and synonyms

Espas is a chemical substance with the molecular formula C12H18NNaO4S and a molar mass of 295.34 g/mol. Its CAS registry number is 82611-88-9. The IUPAC name is sodium 3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
sodium 3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate
CAS number
82611-88-9 CAS number cross-checked
Molecular formula
C12H18NNaO4S
MDL number
MFCD00083320
InChIKey
MWFOPMKUGZLPQA-UHFFFAOYSA-M
InChI
InChI=1S/C12H19NO4S.Na/c1-3-13(8-5-9-18(14,15)16)11-6-4-7-12(10-11)17-2;/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16);/q;+1/p-1
SMILES (canonical and isomeric)
CCN(CCCS(=O)(=O)[O-])C1=CC(=CC=C1)OC.[Na+]

Synonyms

  • ADPS
  • N-Ethyl-N-(3-sulfopropyl)-3-methoxyaniline sodium salt
  • N-Ethyl-N-(3-sulfopropyl)-m-anisidine sodium salt
  • Sodium 3-(ethyl(3-methoxyphenyl)amino)propane-1-sulfonate
  • sodium, 3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate
  • N-Ethyl-N-(3-sulfopropyl)-3-methoxyaniline sodium salt monohydrate
  • ADPS, sodium salt
  • 1-Propanesulfonic acid, 3-[ethyl(3-methoxyphenyl)amino]-, sodium salt
  • N-Ethyl-N-(3-sulfopropyl)-3-methoxyaniline sodium
  • sodium, 3-(N-ethyl-3-methoxy-anilino)propane-1-sulfonate
  • N-Ethyl-N-(3-sulfopropyl)-3-methoxyaniline,sodium salt (ADPS)
  • Sodium 3-[ethyl(3-methoxyphenyl)amino]propane-1-sulfonate--water (1/1/1)

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
295.34 g/molcalc.
Exact mass
295.0854 Dacalc.
LogP (octanol/water)
-1.54calc.
Topological polar surface area
69.67 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
19calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (0 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.

Espas suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 3 countries

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Espas price

Indicative price range per kg from live supplier offers

No published prices right now

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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Espas is traded under.

HS 2922.29Indicative HS code

Amino-naphthols and other amino-phenols, other than those containing more than one kind…

World exports in 2024
$467M
−15.3% vs 2023, imports $454M
2019 to 2024
Top exporters
  1. China63.1%
  2. India * partner reported15.5%
  3. Japan4.0%
Top importers
  1. India * partner reported25.8%
  2. United States14.4%
  3. South Korea7.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Espas?

Espas is a chemical substance with the molecular formula C12H18NNaO4S and a molar mass of 295.34 g/mol. Its CAS registry number is 82611-88-9. The IUPAC name is sodium 3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate.

What is the CAS number of Espas?

The CAS registry number of Espas is 82611-88-9.

What is the molecular formula and weight of Espas?

The molecular formula of Espas is C12H18NNaO4S and its molar mass is 295.34 g/mol.

Is Espas hazardous?

No GHS hazard classification for Espas 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 Espas?

Espas is usually classified under HS code 292229 (Amino-naphthols and other amino-phenols, other than those containing more than one kind…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Espas?

CompoundList lists 3 suppliers of Espas in China, Germany and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Espas?

Suppliers quote Espas 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 Espas

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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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