Indole-3-Butyric Acid

CAS 133-32-4  ·  C12H13NO2  ·  MW 203.24 g/mol

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3D model Indole-3-Butyric Acid, CAS 133-32-4, molecular formula C12H13NO2, molar mass 203.24 g/mol
About Indole-3-Butyric Acid

Indole-3-Butyric Acid is a chemical compound registered under number CAS 133-32-4, with the molecular formula C12H13NO2, and a molar mass of 203.24 g/mol.

The molecule contains 28 atoms connected by 29 chemical bonds. The full systematic IUPAC name of this compound is 4-(1H-indol-3-yl)butanoic acid. 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 = 2.3 (positive value, a lipophilic compound), polar surface area PSA = 53.1 Ų, 2 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 formulaC12H13NO2
Masa molowa203.24 g/mol
IUPAC4-(1H-indol-3-yl)butanoic acid
SMILESC1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
InChIKeyJTEDVYBZBROSJT-UHFFFAOYSA-N
logP (XLogP3)2.3
PSA53.1 Ų
HBD / HBA2 / 2
PubChem CIDCID 8617 ↗
GHS safety

Signal word: Danger

GHS06
GHS06
GHS07
GHS07

H301 — Działa toksycznie po połknięciu

H315 — Działa drażniąco na skórę

Scientific literature

Related literature

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

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

📈 Publication timeline (2 articles)

2011: 1 articles20112018: 1 articles2018

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

Synonyms
Indole-3-butyric acid · 3-Indolebutyric acid · 133-32-4 · 4-(1H-Indol-3-yl)butanoic acid · Indolebutyric acid · Hormodin · Seradix · 1H-INDOLE-3-BUTANOIC ACID · 4-(3-Indolyl)butyric acid · Jiffy grow · 4-indol-3-ylbutyric acid · Indole-3-butanoic acid · Indolbutyric acid · Seradix 2 · Seradix 3
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Indole-3-Butyric Acid — CAS 133-32-4

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

MolGod License & Provenance Record:
Indole-3-Butyric Acid (CAS 133-32-4) — License & Provenance

Source:
Indole-3-Butyric Acid (CAS 133-32-4) — MolGod molecule record

Source data: PubChem CID 8617

STL: Download 3D model (574 KB)

SHA-256: 263b0587f3575ef3c0e898dbacb23a5276d7f171112465e204f94f8b9e155fb3

Wikimedia Commons: not published yet

Source data: PubChem CID 8617

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