Diethanolamine

Diethanolamine is a chemical compound registered under number CAS 111-42-2, with the molecular formula C₄H₁₁NO₂, and a molar mass of 105.14 g/mol.

The molecule contains 18 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 2-(2-hydroxyethylamino)ethanol. 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 = -1.4 (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.

Molecular formula	C4H11NO2
Masa molowa	105.14 g/mol
IUPAC	2-(2-hydroxyethylamino)ethanol
SMILES	C(CO)NCCO
InChIKey	ZBCBWPMODOFKDW-UHFFFAOYSA-N
logP (XLogP3)	-1.4
PSA	52.5 Ų
HBD / HBA	3 / 3
PubChem CID	CID 8113 ↗

Signal word: Danger

H302 — Działa szkodliwie po połknięciu

H373 — Może powodować uszkodzenie narządów poprzez długotrwałe lub powtarzane narażenie

H315 — Działa drażniąco na skórę

H318 — Powoduje poważne uszkodzenie oczu

DIETHANOLAMINE · 111-42-2 · 2,2'-Iminodiethanol · Diolamine · Iminodiethanol · Bis(2-hydroxyethyl)amine · 2-(2-Hydroxyethylamino)ethanol · Diethanolamin · Diethylolamine · 2,2'-Dihydroxydiethylamine · N,N-Diethanolamine · Ethanol, 2,2'-iminobis- · Di(2-hydroxyethyl)amine · 2,2'-Iminobisethanol · N,N'-Iminodiethanol

• 📊 PubChem CID 8113 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność