Pyrrolidine-3,4-diol

CAS 9046-10-0  ·  C4H9NO2  ·  MW 103.12 g/mol

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3D model Pyrrolidine-3,4-diol, CAS 9046-10-0, molecular formula C4H9NO2, molar mass 103.12 g/mol
About Pyrrolidine-3,4-diol

Pyrrolidine-3,4-diol is a chemical compound registered under number CAS 9046-10-0, with the molecular formula C4H9NO2, and a molar mass of 103.12 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is pyrrolidine-3,4-diol. 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 = -1.7 (negative value, a hydrophilic compound), polar surface area PSA = 52.5 Ų, 3 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 formulaC4H9NO2
Masa molowa103.12 g/mol
IUPACpyrrolidine-3,4-diol
SMILESC1C(C(CN1)O)O
InChIKeyJCZPOYAMKJFOLA-UHFFFAOYSA-N
logP (XLogP3)-1.7
PSA52.5 Ų
HBD / HBA3 / 3
PubChem CIDCID 13329881 ↗
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

20 articles · 9 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (20 articles)

1991: 1 articles19912003: 1 articles2004: 1 articles2005: 2 articles2006: 1 articles2009: 1 articles2010: 3 articles20102012: 1 articles2014: 2 articles2016: 1 articles2023: 4 articles2024: 2 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.

Synonyms
Pyrrolidine-3,4-diol · 473541-96-7 · RefChem:871085 · 819-919-0 · 9046-10-0 · Trans-3,4-pyrrolidinediol · 3,4-Pyrrolidinediol · 136779-52-7 · trans-pyrrolidine-3,4-diol · 3,4-dihydroxy-2h-pyrroline · SCHEMBL414574 · SCHEMBL978384 · JCZPOYAMKJFOLA-UHFFFAOYSA-N · MFCD18074103 · AKOS013013183
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Pyrrolidine-3,4-diol — CAS 9046-10-0

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

MolGod License & Provenance Record:
Pyrrolidine-3,4-diol (CAS 9046-10-0) — License & Provenance

Source:
Pyrrolidine-3,4-diol (CAS 9046-10-0) — MolGod molecule record

Source data: PubChem CID 13329881

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SHA-256: cc0a1247f8508da470dce5c1888298c5591b555c9e9ec54c9e20228bf7d6ba03

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Source data: PubChem CID 13329881

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