Carbamide Peroxide

CAS 124-43-6  ·  CH₆N₂O₃  ·  MW 94.07 g/mol

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3D model Carbamide Peroxide, CAS 124-43-6, molecular formula CH₆N₂O₃, molar mass 94.07 g/mol

Model views

  • Carbamide Peroxide (CAS 124-43-6) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Carbamide Peroxide (CAS 124-43-6) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Carbamide Peroxide (CAS 124-43-6) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Carbamide Peroxide (CAS 124-43-6) – 2D structure, MolGod Viewer
    2D structure

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About Carbamide Peroxide

Carbamide Peroxide is a chemical compound registered under number CAS 124-43-6, with the molecular formula CH₆N₂O₃, and a molar mass of 94.07 g/mol.

The molecule contains 12 atoms connected by 10 chemical bonds. The full systematic IUPAC name of this compound is hydrogen peroxide;urea. 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 = 110 Ų, 4 donors and 3 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 formulaCH₆N₂O₃
Molar mass94.07 g/mol
IUPAChydrogen peroxide;urea
SMILESC(=O)(N)N.OO
InChIKeyAQLJVWUFPCUVLO-UHFFFAOYSA-N
logP (XLogP3)—
PSA110 Ų
HBD / HBA4 / 3
PubChem CIDCID 31294 ↗
GHS safety

Signal word: Danger

GHS03
GHS03
GHS05
GHS05
GHS07
GHS07

H272 — May intensify fire; oxidiser

H314 — Causes severe skin burns and eye damage

H315 — Causes skin irritation

H318 — Causes serious eye damage

H335 — May cause respiratory irritation

H302 — Harmful if swallowed

Scientific literature

Related literature

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

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

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 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/31294
  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)
Carbamide Peroxide (CAS 124-43-6), CH₆N₂O₃ - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewDownload image

MG-STL-124-43-6-ENGRAVED · 141,466 △ · 7 MB · SHA-256 d9104515e487e7d0

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Carbamide Peroxide (CAS 124-43-6), CH₆N₂O₃ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-124-43-6-NORMAL · 4,896 △ · 239 KB · SHA-256 4888d00e0bdcb5c1

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Model
Carbamide Peroxide · 124-43-6
InChIKey
AQLJVWUFPCUVLO-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Carbamide Peroxide (CAS 124-43-6)
License & provenance record
Carbamide Peroxide (CAS 124-43-6) →
MolGod molecule record
Carbamide Peroxide →
Source data
PubChem CID 31294 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
4888d00e0bdcb5c1ddf6a148e24aded6c6141ebf8fe24a8d5911c04acab4bb99
MD5 (STL)
2926800bb6f87b2964388da76673e893
Model identifier
MG-STL-124-43-6
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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