Diethylenetriamine

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

关于 Diethylenetriamine

Diethylenetriamine 是一种化学品，登记号为 CAS 111-40-0，分子式为 C₄H₁₃N₃，摩尔质量为 103.17 g/mol。

该分子包含 20 个原子，通过 19 个化学键连接。该化合物的完整系统 IUPAC 名称为 N'-(2-aminoethyl)ethane-1,2-diamine。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = -2.1 (负值，亲水性化合物)，极性表面积 PSA = 64.1 Å²，3 个氢键供体和 3 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。

理化性质

Molecular formula	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 安全

Signal word: Danger

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

科学文献

Related literature

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

📈 Publication timeline (12 articles)

Bar height = number of articles per year. 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 ↗

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 ↗

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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 ↗

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 ↗

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 ↗

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

同义词

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

数据来源

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