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ChEMBL Statistics
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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

Structural Alerts

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

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

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
ChEBI 51993
eMolecules 487182
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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