tetraethylammonium   Click here for help

GtoPdb Ligand ID: 2343

Abbreviated name: TEA
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 0
Molecular weight 130.16
XLogP 1.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC[N+](CC)(CC)CC
Isomeric SMILES CC[N+](CC)(CC)CC
InChI InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1
InChI Key CBXCPBUEXACCNR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
tetraethylazanium
International Nonproprietary Names Click here for help
INN number INN
4196 tetrylammonium bromide
Database Links Click here for help
BindingDB Ligand 50149890
CAS Registry No. 66-40-0 (source: Scifinder)
ChEBI CHEBI:44296
ChEMBL Ligand CHEMBL9324
DrugBank Ligand DB03095
GtoPdb PubChem SID 135651249
PubChem CID 5413
RCSB PDB Ligand NET
Search Google for chemical match using the InChIKey CBXCPBUEXACCNR-UHFFFAOYSA-N
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Search PubMed clinical trials tetrylammonium bromide
Search PubMed titles tetrylammonium bromide
Search PubMed titles/abstracts tetrylammonium bromide
Search UniChem for chemical match using the InChIKey CBXCPBUEXACCNR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CBXCPBUEXACCNR
Wikipedia Tetraethylammonium