Allantoin

CAS 97-59-6  ·  C4H6N4O3  ·  MW 158.12 g/mol

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3D model Allantoin, CAS 97-59-6, molecular formula C4H6N4O3, molar mass 158.12 g/mol
About Allantoin

Allantoin is a chemical compound registered under number CAS 97-59-6, with the molecular formula C4H6N4O3, and a molar mass of 158.12 g/mol.

The molecule contains 17 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is (2,5-dioxoimidazolidin-4-yl)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, the partition coefficient logP = -2.2 (negative value, a hydrophilic compound), polar surface area PSA = 113 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 formulaC4H6N4O3
Masa molowa158.12 g/mol
IUPAC(2,5-dioxoimidazolidin-4-yl)urea
SMILESC1(C(=O)NC(=O)N1)NC(=O)N
InChIKeyPOJWUDADGALRAB-UHFFFAOYSA-N
logP (XLogP3)-2.2
PSA113 Ų
HBD / HBA4 / 3
PubChem CIDCID 204 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

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

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (5 articles)

1999: 1 articles19992005: 1 articles2023: 2 articles20232026: 1 articles2026

Bar height = number of articles per year. Hover dla szczegółów.

Ogihara T, Tamai H (2005) · Nihon rinsho. Japanese journal of clinical medicine
Review$ PaywallPubMed ↗
Ogihara T, Ogihara H, Tamai H (1999) · Nihon rinsho. Japanese journal of clinical medicine
Review$ PaywallPubMed ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
allantoin · 97-59-6 · 5-Ureidohydantoin · Glyoxyldiureide · Cordianine · Glyoxyldiureid · Allantol · Sebical · Alantan · AVC/Dienestrolcream · Psoralon · Septalan · Urea, (2,5-dioxo-4-imidazolidinyl)- · (2,5-Dioxo-4-imidazolidinyl)urea · (2,5-dioxoimidazolidin-4-yl)urea
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Allantoin — CAS 97-59-6

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Allantoin (CAS 97-59-6) — License & Provenance

Source:
Allantoin (CAS 97-59-6) — MolGod molecule record

Source data: PubChem CID 204

STL: Download 3D model (345 KB)

SHA-256: 73966fd31f9c508db6168c8e7e8c7be738c06ec49944b38c12db69779ed39527

Wikimedia Commons: not published yet

Source data: PubChem CID 204

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