# Espas

**CAS:** 82611-88-9  
**PubChem CID:** [23709986](https://pubchem.ncbi.nlm.nih.gov/compound/23709986)  
**Molecular formula:** C₁₂H₁₈NO₄SNa  
**Molar mass:** 295.33 g/mol  
**IUPAC:** sodium 3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate  
**SMILES:** `CCN(CCCS(=O)(=O)[O-])C1=CC(=CC=C1)OC.[Na+]`  
**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`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 78.1 Ų |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 7 |
| Heavy atoms | 19 |

## 3D structure

The molecule contains 37 atoms connected by 37 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/82611-88-9/

## Synonyms

- 82611-88-9
- ADPS
- ESPAS
- 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
- MFCD00083320
- sodium;3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate
- N-Ethyl-N-(3-sulfopropyl)-3-methoxyaniline sodium salt monohydrate
- ADPS, sodium salt

## Data sources

- [PubChem CID 23709986](https://pubchem.ncbi.nlm.nih.gov/compound/23709986)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=82611-88-9)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=82611-88-9)

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*Last updated: 2026-10-17 · Generator: MOL-GOD v3.12.33*