Diethanolamine (C4H11NO2)

Diethanolamine presents a C4 framework, alcohol functionality, basic nitrogen (formula C4H11NO2, CAS 111-42-2). ChemicalTool Reaction can propose ranked disconnections for Diethanolamine from the SMILES OCCNCCO.

Target: Diethanolamine
CAS: 111-42-2
Formula: C4H11NO2
Approx. MW: 105.14
SMILES: OCCNCCO
PubChem CID: 8113
Approx. carbons: C4

Diethanolamine structure

Properties

IUPAC name: 2-(2-hydroxyethylamino)ethanol
Common names: DIETHANOLAMINE; 111-42-2; 2,2'-Iminodiethanol; Diolamine; Iminodiethanol; Bis(2-hydroxyethyl)amine; 2-(2-Hydroxyethylamino)ethanol; Diethanolamin; Diethylolamine; 2,2'-Dihydroxydiethylamine
Molecular weight: 105.14
Exact mass: 105.08
InChIKey: ZBCBWPMODOFKDW-UHFFFAOYSA-N
Melting point: 82 °F (NTP, 1992)
Boiling point: 516.4 °F at 760 mmHg (Decomposes) (NTP, 1992)
Density: 1.095 at 82.4 °F (USCG, 1999) - Denser than water; will sink

View on PubChem

Diethanolamine 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Diethanolamine?

Diethanolamine has molecular formula C4H11NO2. Molecular weight about 105.14 g·mol⁻¹.

What is the CAS number of Diethanolamine?

The CAS Registry Number for Diethanolamine is 111-42-2.

Run AI retrosynthesis for Diethanolamine Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C4H11NO2.

Related targets

Similar compounds

2-amino-2-methyl-1,3-propanediol 1-aminobutan-2-ol 2-(Dimethylamino)ethanol 2-Amino-2-methyl-1-propanol 1-(2-Hydroxyethyl)pyrrolidin-2-one 1-Aminopropan-2-ol

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.