Hydroxyamine hydrochloride

CAS 5470-11-1  ·  H₄ClNO  ·  MW 69.49 g/mol

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3D model Hydroxyamine hydrochloride, CAS 5470-11-1, molecular formula H₄ClNO, molar mass 69.49 g/mol
About Hydroxyamine hydrochloride

Hydroxyamine hydrochloride is a chemical compound registered under number CAS 5470-11-1, with the molecular formula H₄ClNO, and a molar mass of 69.49 g/mol.

The molecule contains 7 atoms connected by 5 chemical bonds. The full systematic IUPAC name of this compound is hydroxylamine;hydrochloride. 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 = 46.3 Ų, 3 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 formulaH₄ClNO
Molar mass69.49 g/mol
IUPAChydroxylamine;hydrochloride
SMILESNO.Cl
InChIKeyWTDHULULXKLSOZ-UHFFFAOYSA-N
logP (XLogP3)—
PSA46.3 Ų
HBD / HBA3 / 2
PubChem CIDCID 443297 ↗
GHS safety

Signal word: Warning

GHS05
GHS05
GHS07
GHS07
GHS08
GHS08
GHS09
GHS09

H290 — May be corrosive to metals

H351 — Suspected of causing cancer

H312 — Harmful in contact with skin

H302 — Harmful if swallowed

H373 — May cause damage to organs through prolonged or repeated exposure

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H317 — May cause an allergic skin reaction

H400 — Very toxic to aquatic life

Scientific literature

Related literature

2 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 2)

2004: number of articles 120042012: number of articles 12012

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.

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+UFF 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. Rappe AK, Casewit CJ, Colwell KS, Goddard WA III, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 1992, 114, 10024-10035. doi:10.1021/ja00051a040
  7. 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
  8. 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/443297
  9. 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)
Hydroxyamine hydrochloride (CAS 5470-11-1), H₄ClNO - 3D ball-and-stick molecular model, engraved element symbols (H Cl N O), MolGod STL previewDownload image

MG-STL-5470-11-1-ENGRAVED · 83,222 △ · 4 MB · SHA-256 13a12b8c679a04e5

Download 3D model · ENGRAVED · H Cl N O

Hydroxyamine hydrochloride (CAS 5470-11-1), H₄ClNO - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-5470-11-1-NORMAL · 2,720 △ · 133 KB · SHA-256 b4bba74d0f9e6fbd

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Model
Hydroxyamine hydrochloride · 5470-11-1
InChIKey
WTDHULULXKLSOZ-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Hydroxyamine hydrochloride (CAS 5470-11-1)
License & provenance record
Hydroxyamine hydrochloride (CAS 5470-11-1) →
MolGod molecule record
Hydroxyamine hydrochloride →
Source data
PubChem CID 443297 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 59d3f622957e · generated 2026-10-08
SHA-256 (STL)
b4bba74d0f9e6fbd76421c9d8d6a50b9ce66139cb9a1d7b6542afb61e190269a
MD5 (STL)
10e2155b1dc7169a6a7e09f9f781183f
Model identifier
MG-STL-5470-11-1
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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