What is Diethylenetriamine (CAS 111-40-0)?

Diethylenetriamine (CAS 111-40-0) is a chemical compound registered under CAS number 111-40-0. Molecular formula: C4H13N3. Molar mass: 103.17 g/mol. IUPAC: N'-(2-aminoethyl)ethane-1,2-diamine.

What is the CAS number of Diethylenetriamine (CAS 111-40-0)?

The CAS number of Diethylenetriamine (CAS 111-40-0) is 111-40-0 — a unique Chemical Abstracts Service (CAS) identifier.

What is the molecular formula of Diethylenetriamine (CAS 111-40-0)?

Molecular formula: C4H13N3. Molar mass: 103.17 g/mol. logP (XLogP3): -2.1. PSA: 64.1 Å².

What are the GHS hazards of Diethylenetriamine (CAS 111-40-0)?

Under the GHS classification, Diethylenetriamine (CAS 111-40-0) must be labelled with the following hazard statements: H312 (Harmful in contact with skin), H302 (Harmful if swallowed), H314 (Causes severe skin burns and eye damage), H317 (May cause an allergic skin reaction).

Where can I buy Diethylenetriamine (CAS 111-40-0)?

Diethylenetriamine (CAS 111-40-0) is available in our shop. View the product: https://molgod.org/sds-cards/diethylenetriamine-cas-111-40-0-xilong-scientific/

Where does the chemical data for Diethylenetriamine (CAS 111-40-0) come from?

Chemical data for Diethylenetriamine (CAS 111-40-0) comes from authoritative sources: PubChem (NIH), ChEMBL (EBI). PubChem CID: 8111. Compliant with the CLP Regulation (EC 1272/2008), available under the CC-BY 4.0 licence.

Diethylenetriamine (CAS 111-40-0)

Name: Diethylenetriamine (CAS 111-40-0) (CAS 111-40-0) — complete chemical dataset
Creator: MolGod
License: https://creativecommons.org/licenses/by/4.0/

Diethylenetriamine

CAS 111-40-0 · C₄H₁₃N₃ · MW 103.17 g/mol

About Diethylenetriamine (CAS 111-40-0)

Diethylenetriamine (CAS 111-40-0) is a chemical compound registered under number CAS 111-40-0, with the molecular formula C₄H₁₃N₃, and a molar mass of 103.17 g/mol.

The molecule contains 20 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is N'-(2-aminoethyl)ethane-1,2-diamine. 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 = -2.1 (negative value, a hydrophilic compound), polar surface area PSA = 64.1 Å², 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

Wzór sumaryczny	C₄H₁₃N₃
Masa molowa	103.17 g/mol
IUPAC	N'-(2-aminoethyl)ethane-1,2-diamine
SMILES	`C(CNCCN)N`
InChIKey	`RPNUMPOLZDHAAY-UHFFFAOYSA-N`
logP (XLogP3)	-2.1
PSA	64.1 Å²
HBD / HBA	3 / 3
PubChem CID	CID 8111 ↗

GHS safety

Sygnał: Niebezpieczeństwo

GHS05

GHS07

H312 — Działa szkodliwie w kontakcie ze skórą

H302 — Działa szkodliwie po połknięciu

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

H317 — Może powodować reakcję alergiczną skóry

Scientific literature

Related literature

20 artykułów · 7 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

📈 Timeline publikacji (20 artykułów)

Wysokość słupka = liczba artykułów w roku. Hover dla szczegółów.

Copper chelating anti-inflammatory agents; N1-(2-aminoethyl)-N2-(pyridin-2-ylmethyl)-ethane-1,2-diamine and N-(2-(2-aminoethylamino)ethyl)picolinamide: An in vitro and in vivo study

John N. Zvimba, Graham E. Jackson (2007) · Journal of Inorganic Biochemistry

Cytowania: 17$ PaywallDOI ↗

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Bis[N-(2-aminoethyl)ethane-1,2-diamine-κ3N,N′,N′′]copper(II) tris[diamminetetrakis(thiocyanato-κN)chromate(III)] thiocyanate dimethyl sulfoxide tetradecasolvate monohydrate

Vitalina M. Nikitina, Oksana V. Nesterova, Roman I. Zubatyuk et al. (2011) · Acta Crystallographica Section E

Cytowania: 4Open AccessDOI ↗PDF ↗

Structural and spectroscopic studies of transition metal nitrite complexes. I. Crystal structures and spectra of trans -Bis(ethane- 1,2 diamine)dinitronickel(II), trans -Bis[N, N-dimethyl(ethane- 1,2-diamine)]dinitritonickel(II) and trans-bis[N,N'-dimethyl(ethane-1,2 diamine)]dinitronickel(II) monohydrate

AJ Finney, MA Hitchman, CL Raston (1981) · Australian Journal of Chemistry

Cytowania: 34$ PaywallDOI ↗

Synthesis, structure, and spectral and magnetic properties of (.mu.-carbonato)(.mu.-hydroxo)bis[N,N'-(bis(2-aminoethyl)ethane-1,2-diamine)chromium(III)] perchlorate

Leone Spiccia, Gary D. Fallon, Andrew Markiewicz et al. (1992) · Inorganic Chemistry

Cytowania: 32$ PaywallDOI ↗

Molecular simulation of the adsorption of the hydration inhibitor N1,N1’-(ethane-1,2-diethyl)bis(N1-(2-aminoethyl)ethane-1,2-diamine onto montmorillonite

Shi Yuan, Xin Zhao, Rongchao Cheng et al. (2022) · Clay Minerals

Cytowania: 4$ PaywallDOI ↗

Potential use and perspectives of nitric oxide donors in agriculture.

Marvasi M (2017) · Journal of the science of food and agriculture

Review$ PaywallDOI ↗PubMed ↗

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[N,N-Bis(2-aminoethyl)ethane-1,2-diamine](ethane-1,2-diamine)nickel(II) thiosulfate trihydrate

Beatrix Seidlhofer, Christian Näther, Wolfgang Bensch (2012) · Acta Crystallographica Section E Structure Reports Online

Cytowania: 1Open AccessDOI ↗PDF ↗

Crystal and Molecular Structure of the Peroxo-Bridged Dimer [(trenen)CoO2Co(trenen)] (ClO4)4 Where trenen = N,N,N'-Tris(2-aminoethyl)-ethane-1,2-diamine

BM Gatehouse, G Mclachlan, LL Martin et al. (1991) · Australian Journal of Chemistry

Cytowania: 11$ PaywallDOI ↗

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Embryonic motoneuron-skeletal muscle co-culture in a defined system.

Das M, Rumsey JW, Gregory CA et al. (2007) · Neuroscience

Open AccessDOI ↗PubMed ↗PDF ↗

A Novel Method Using Gadolinium-Ethoxybenzyl Diethylenetriamine Pentaacetate Acid-Enhanced Magnetic Resonance Imaging for Predicting Post-Hepatectomy Liver Failure in Hepatocellular Carcinoma Patients with a Major Portal Vein Tumor Thrombus.

Nishio K, Komatsu S, Sofue K et al. (2024) · Digestive surgery

$ PaywallDOI ↗PubMed ↗

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Fasudil and DETA NONOate, Loaded in a Peptide-Modified Liposomal Carrier, Slow PAH Progression upon Pulmonary Delivery.

Rashid J, Nahar K, Raut S et al. (2018) · Molecular pharmaceutics

Open AccessDOI ↗PubMed ↗PDF ↗

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Metabotropic glutamate receptor 3 activation prevents nitric oxide-induced death in cultured rat astrocytes.

Durand D, Caruso C, Carniglia L et al. (2010) · Journal of neurochemistry

Open AccessDOI ↗PubMed ↗PDF ↗

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High Fluorescent Porphyrin-PAMAM-Fluorene Dendrimers.

Garfias-Gonzalez KI, Organista-Mateos U, Borja-Miranda A et al. (2015) · Molecules (Basel, Switzerland)

Open AccessDOI ↗PubMed ↗PDF ↗

SYNTHESIS AND SPECTRAL LUMINESCENT PROPERTIES OF N,N′-BIS(2-HYDROXY-4-METHYLBENZYLIDENE)-N-(2-AMINOETHYL) ETHANE-1,2-DIAMINE IN DIFFERENT SOLVENTS

L.P. Ardasheva (2025) · Химия высоких энергий / High Energy Chemistry

$ PaywallDOI ↗

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Synthesis and crystal structure of bis[μ-N,N-bis(2-aminoethyl)ethane-1,2-diamine]bis[N,N-bis(2-aminoethyl)ethane-1,2-diamine]-μ4-oxido-hexa-μ3-oxido-octa-μ2-oxido-tetraoxidotetranickel(II)hexatantalum(V) nonadecahydrate

Dana-Céline Krause, Christian Näther, Wolfgang Bensch (2021) · Acta Crystallographica Section E Crystallographic Communications

Open AccessDOI ↗PDF ↗

Synthesis and Spectral–Luminescent Properties of N,N'-Bis(2-hydroxy-4-methylbenzylidene)-N-(2-aminoethyl)ethane-1,2-diamine in Various Solvents

L. P. Ardasheva, A. N. Borisov, R. I. Baichurin et al. (2025) · High Energy Chemistry

$ PaywallDOI ↗

Reactions of 2-hydroxy-5-(1-adamantyl)benzene-1,3-dicarbaldehyde with ethane-1,2-diamine, trans-cyclohexane-1,2-diamine, and N-(2-aminoethyl)ethane-1,2-diamine

E. A. Shokova, V. V. Kovalev (2008) · Russian Journal of General Chemistry

Cytowania: 1$ PaywallDOI ↗

The Stability of MetalN,N,N′,N′-Tetrakis(2-aminoethyl)ethane- 1,2-diamine (=penten) Complexes and the X-Ray Crystal Structure of [Tl(NO3)(penten)](NO3)2

Volker Gramlich, Přemysl Lubal, Stefano Musso et al. (2001) · Helvetica Chimica Acta

Cytowania: 8$ PaywallDOI ↗

Inhibition of the STAT3 Protein by a Dinuclear Macrocyclic Complex.

Mesquita LM, Herrera F, Esteves CV et al. (2016) · Inorganic chemistry

$ PaywallDOI ↗PubMed ↗

Antibacterial activity of nitric oxide-releasing carboxymethylcellulose against periodontal pathogens.

Feura ES, Yang L, Schoenfisch MH (2021) · Journal of biomedical materials research. Part A

$ PaywallDOI ↗PubMed ↗

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

Synonyms

DIETHYLENETRIAMINE · 111-40-0 · Bis(2-aminoethyl)amine · 2,2'-Diaminodiethylamine · 1,4,7-Triazaheptane · DETA · Diethylene triamine · Barsamide 115 · Epicure T · Ancamine DETA · 3-Azapentane-1,5-diamine · Aminoethylethandiamine · N,N-Bis(2-aminoethyl)amine · 1,5-Diamino-3-azapentane · Imino-bis-ethylamine

Data sources

📊 PubChem CID 8111 — NIH
🔬 NIST WebBook — spektroskopia
💊 ChEMBL — bioaktywność

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