2-Butanone oxime

CAS 96-29-7  ·  C4H9NO  ·  MW 87.12 g/mol

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3D model 2-Butanone oxime, CAS 96-29-7, molecular formula C4H9NO, molar mass 87.12 g/mol
About 2-Butanone oxime

2-Butanone oxime is a chemical compound registered under number CAS 96-29-7, with the molecular formula C4H9NO, and a molar mass of 87.12 g/mol.

The molecule contains 15 atoms connected by 14 chemical bonds. The full systematic IUPAC name of this compound is N-butan-2-ylidenehydroxylamine. 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 = 0.7 (positive value, a lipophilic compound), polar surface area PSA = 32.6 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 formulaC4H9NO
Masa molowa87.12 g/mol
IUPACN-butan-2-ylidenehydroxylamine
SMILESCCC(=NO)C
InChIKeyWHIVNJATOVLWBW-UHFFFAOYSA-N
logP (XLogP3)0.7
PSA32.6 Ų
HBD / HBA1 / 2
PubChem CIDCID 7292 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS06
GHS06
GHS07
GHS07
GHS08
GHS08

H350 — Może powodować raka

H312 — Działa szkodliwie w kontakcie ze skórą

H301 — Działa toksycznie po połknięciu

H336 — Może wywoływać uczucie senności lub zawroty głowy

H370 — Powoduje uszkodzenie narządów

H373 — Może powodować uszkodzenie narządów poprzez długotrwałe lub powtarzane narażenie

H315 — Działa drażniąco na skórę

H318 — Powoduje poważne uszkodzenie oczu

H317 — Może powodować reakcję alergiczną skóry

Scientific literature

Related literature

11 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (11 articles)

1996: 1 articles19961998: 2 articles1999: 2 articles2001: 1 articles2002: 1 articles20022003: 1 articles2008: 1 articles2015: 1 articles2022: 1 articles2022

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

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

Synonyms
2-BUTANONE OXIME · methylethyl ketoxime · Ethyl-methylketonoxim · MEKO · DTXCID701821 · RefChem:909691 · 51YGE935U9 · 96-29-7 · Methyl ethyl ketoxime · 2-Butanone, oxime · Butanone oxime · Ethyl methyl ketoxime · Methylethylketoxime · butan-2-one oxime · 2-Butanoneoxime
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
2-Butanone oxime — CAS 96-29-7

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

MolGod License & Provenance Record:
2-Butanone oxime (CAS 96-29-7) — License & Provenance

Source:
2-Butanone oxime (CAS 96-29-7) — MolGod molecule record

Source data: PubChem CID 7292

STL: Download 3D model (300 KB)

SHA-256: 6631cfc6f3ed0bcfd74cd6b0ff354938bc232f18d897fd0bab40a7a3c1043c6d

Wikimedia Commons: not published yet

Source data: PubChem CID 7292

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