Ammonium formate

CAS 540-69-2  ·  CH₅NO₂  ·  MW 63.056 g/mol

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3D model Ammonium formate, CAS 540-69-2, molecular formula CH₅NO₂, molar mass 63.056 g/mol
About Ammonium formate

Ammonium formate is a chemical compound registered under number CAS 540-69-2, with the molecular formula CH₅NO₂, and a molar mass of 63.056 g/mol.

The molecule contains 9 atoms connected by 7 chemical bonds. The full systematic IUPAC name of this compound is azanium formate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 41.1 Ų, 1 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaCH₅NO₂
Molar mass63.056 g/mol
IUPACazanium formate
SMILESC(=O)[O-].[NH4+]
InChIKeyVZTDIZULWFCMLS-UHFFFAOYSA-N
logP (XLogP3)—
PSA41.1 Ų
HBD / HBA1 / 2
PubChem CIDCID 2723923 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H319 — Causes serious eye irritation

Scientific literature

Related literature

4 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 4)

2024: number of articles 220242025: number of articles 22025

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
AMMONIUM FORMATE · 540-69-2 · Formic acid, ammonium salt · Mravencan amonny · Formic acid, ammonium salt (1:1) · 3801F9644E · CHEBI:63050 · RefChem:5549 · DTXCID309624 · 208-753-9 · azanium;formate · Formic acid ammonium salt · ammoniumformate · ammonium formiate · azanium formate
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/2723923
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Ammonium formate (CAS 540-69-2), CH₅NO₂ - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewDownload image

MG-STL-540-69-2-ENGRAVED · 108,992 △ · 5 MB · SHA-256 af5a264bc3305ce1

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Ammonium formate (CAS 540-69-2), CH₅NO₂ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-540-69-2-NORMAL · 3,648 △ · 178 KB · SHA-256 831148a3403acb35

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Model
Ammonium formate · 540-69-2
InChIKey
VZTDIZULWFCMLS-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Ammonium formate (CAS 540-69-2)
License & provenance record
Ammonium formate (CAS 540-69-2) →
MolGod molecule record
Ammonium formate →
Source data
PubChem CID 2723923 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
831148a3403acb35c316fce4ab1b5fc52100f79e2aef79adddf8e37e6ad8a176
MD5 (STL)
4d0ecd733a068b4eb769801b7386e1c5
Model identifier
MG-STL-540-69-2
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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