Molecular Identity
1,4-Diazabicyclo[2.2.2]octane
1,4-diazabicyclo[2.2.2]octane
PubChem CID: 9237
Triethylenediamine is an organic heterobicylic compound that is piperazine with an ethane-1,2-diyl group forming a bridge between N1 and N4. It is typically used as a catalyst in polymerization reactions. It has a role as an antioxidant, a reagent and a catalyst. It is a diamine, a bridged compound, a saturated organic heterobicyclic parent and a tertiary amino compound.
2D Structure
Properties
C6H12N2
Molecular Formula
112.17
Molecular Weight
g/mol
112.1000
Exact Mass
Da
-0.2
XLogP
Drug-like (Lipinski: < 5)
6.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
61
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
1,4-Diazabicyclo[2.2.2]octaneTriethylenediamine280-57-9Dabco1,4-DIAZABICYCLO(2.2.2)OCTANEDabco 33LVDabco crystal1,4-EthylenepiperazineTEDATexacat TD 100Dabco EGN,N'-endo-Ethylenepiperazine1,4-Diazabicyclo-octaneD 33LVThancat TD 33
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1,4-Diazabicyclo[2.2.2]octane
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