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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL60696
CHEMBL60696
Compound Name TETRABUTYLAMMONIUM BROMIDE
ChEMBL Synonyms Tetrabutylammonium Bromide
Max Phase 0
Trade Names
Molecular Formula C16H36BrN

Additional synonyms for CHEMBL60696 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].CCCC[N+](CCCC)(CCCC)CCCC
Standard InChI InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12- ...
Download InChI
Standard InChI Key JRMUNVKIHCOMHV-UHFFFAOYSA-M

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL60696

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
242.5 242.2848 4.28 12 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -1.98 -1.98 0 17 0.45

Structural Alerts

There are 2 structural alerts for CHEMBL60696. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JRMUNVKIHCOMHV-UHFFFAOYSA-M
PubChem SID: 144212466
Wikipedia Tetra-n-butylammonium_bromide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL60696



ACToR 1643-19-2
Brenda 55176
ChEBI 51993
eMolecules 487182
EPA CompTox Dashboard DTXSID4044400
FDA SRS VJZ168I98R
Mcule MCULE-2428370031
MolPort MolPort-000-763-476
NMRShiftDB 10016928
PubChem 22020579 74236
PubChem: Thomson Pharma 14801484
SureChEMBL SCHEMBL1891

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/JRMUNVKIHCOMHV-UHFFFAOYSA-M spacer
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