# Sodium aminotris(methylenephosphonate)

**CAS:** 20592-85-2  
**PubChem CID:** [23687322](https://pubchem.ncbi.nlm.nih.gov/compound/23687322)  
**Molecular formula:** C₃H₈NNa₄O₉P₃  
**Molar mass:** 321.03 g/mol  
**IUPAC:** sodium [bis(phosphonomethyl)amino]methyl-hydroxyphosphinate  
**SMILES:** `C(N(CP(=O)(O)O)CP(=O)(O)[O-])P(=O)(O)O.[Na+]`  
**InChIKey:** `RCUMDGGJOOTRBS-UHFFFAOYSA-M`  
**InChI:** `InChI=1S/C3H12NO9P3.Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);/q;+1/p-1`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 179 Ų |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 6 |
| Heavy atoms | 17 |

## 3D structure

The molecule contains 28 atoms connected by 27 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/20592-85-2/

## Synonyms

- 20592-85-2
- Sodium aminotris(methylenephosphonate)
- 9HON9B633X
- Sodium nitrilotrimethylenephosphonate
- Tris(phosphonomethyl)amine sodium salt
- UNII-9HON9B633X
- Sodium(nitrilotris(methylene))trisphosphonate
- 1884388-64-0
- Phosphonic acid, (nitrilotris(methylene))tris-, sodium salt
- Nitrilotri(methylenephosphonic acid) sodium salt

## Data sources

- [PubChem CID 23687322](https://pubchem.ncbi.nlm.nih.gov/compound/23687322)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=20592-85-2)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=20592-85-2)

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- Canonical: https://molgod.org/molecule/20592-85-2/

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**How to cite:** MolGod.org. "Sodium aminotris(methylenephosphonate) (CAS 20592-85-2)." Last modified 2026-09-09. https://molgod.org/molecule/20592-85-2/ — for a chemical fact, cite its primary source (PubChem CID 23687322); for a 3D model file, cite its MolGod ID, the variant and the SHA-256 from its licence record.

*Last updated: 2026-09-09 · Generator: MOL-GOD v3.12.33*