4-(1H-imidazol-1-yl)aniline

CAS 2221-00-3  ·  C9H9N3  ·  MW 159.19 g/mol

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3D model 4-(1H-imidazol-1-yl)aniline, CAS 2221-00-3, molecular formula C9H9N3, molar mass 159.19 g/mol
About 4-(1H-imidazol-1-yl)aniline

4-(1H-imidazol-1-yl)aniline is a chemical compound registered under number CAS 2221-00-3, with the molecular formula C9H9N3, and a molar mass of 159.19 g/mol.

The molecule contains 21 atoms connected by 22 chemical bonds. The full systematic IUPAC name of this compound is 4-imidazol-1-ylaniline. 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 = 1 (positive value, a lipophilic compound), polar surface area PSA = 43.8 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 formulaC9H9N3
Masa molowa159.19 g/mol
IUPAC4-imidazol-1-ylaniline
SMILESC1=CC(=CC=C1N)N2C=CN=C2
InChIKeyLVOASPZGXNAHJI-UHFFFAOYSA-N
logP (XLogP3)1
PSA43.8 Ų
HBD / HBA1 / 2
PubChem CIDCID 320165 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

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

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

📈 Publication timeline (15 articles)

1999: 1 articles19992011: 1 articles2016: 1 articles2017: 1 articles20172023: 1 articles2024: 4 articles2024

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.

Data sources
Related molecules
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