Basic information
- CAS
65-29-2- Standard SMILES
CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC- InChIKey
OZLPUNFFCJDMJD-UHFFFAOYSA-N- Molecular formula
- C30H60N3O3+3
- Average molar mass
- 510.8 g/mol
- Monoisotopic mass
- 510.46346778
Overview
2-[2,3-bis[2-(triethylammonio)ethoxy]phenoxy]ethyl-triethylammonium is an aromatic ether.
Names & identifiers
- Preferred name
- Triethylgallamine
- IUPAC
- 2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium
- English name
- 2,2',2''-(1,2,3-Benzenetriyltrisoxy)tris(N,N,N-triethylethanaminium)
- Molecular formula
- C30H60N3O3+3
- Molecular weight
- 510.83
Names & synonyms
Triethylgallamine7006-17-9Lopac G-8134VYJ027LZ05Ethanaminium, 2,2',2''-(benzene-1,2,3-triyltris(oxy))tris(N,N,N-triethyl-RefChem:1100407UNII-VYJ027LZ05CHEMBL360055Benzkurin2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium2,2',2''-(1,2,3-Benzenetriyltrisoxy)tris(N,N,N-triethylethanaminium)CAS-65-29-2
Show more names
2,2',2''-[(1,2,3-Benzenetriyl)tris(oxy)]tris[N,N,N-triethylethanaminium]
NCGC00163245-01gallamine-triethiodideGallamine TriethiiodideSpectrum_000823Prestwick0_000157Prestwick1_000157Prestwick2_000157Prestwick3_000157
Database identifiers
- CAS
65-29-2、7006-17-9- PubChem CID
- 3450
- DTXSID
DTXSID5048392- ChEMBL
CHEMBL360055- ChEBI
CHEBI:94609
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 36
- Formal charge
- 3
- Complexity
- 489
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP3.5
Solubility4.65e-06 g/L
Melting Point147.5 °C
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 27 LZ05 · VYJ027LZ05
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 2-[2,3-bis[2-(triethylammonio)ethoxy]phenoxy]ethyl-triethylammonium is an aromatic ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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