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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL439723
CHEMBL439723
Compound Name TRIMETHYLAMMONIUM
ChEMBL Synonyms Trimethyl-Amine | Trimethyl-ammonium hydroxide | Trimethylamine Hydrochloride | Trimethylammonium
Max Phase 0
Trade Names
Molecular Formula C3H9N

Additional synonyms for CHEMBL439723 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C
Standard InChI InChI=1S/C3H9N/c1-4(2)3/h1-3H3
Standard InChI Key GETQZCLCWQTVFV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL439723

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
59.1 59.0735 0.32 0 3.24 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.75 .12 -2.16 0 4 0.39

Structural Alerts

There are no structural alerts for CHEMBL439723

Compound Cross References

ChemSpider ChemSpider:GETQZCLCWQTVFV-UHFFFAOYSA-N
PubChem SID: 144212672
Wikipedia Trimethylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL439723



ACToR 4558-12-7 75-50-3
BindingDB 50416499
Brenda 734 7057
ChEBI 18139
eMolecules 491187
EPA CompTox Dashboard DTXSID2026238
FDA SRS LHH7G8O305
Guide to Pharmacology 5521
Human Metabolome Database HMDB0000906
IBM Patent System E6A1BDDC9C950B4738ED1083C673583E
KEGG Ligand C00565
Mcule MCULE-7903544426
Metabolights MTBLC18139
MolPort MolPort-000-883-876
Nikkaji J1.457E J1.943.802C
NMRShiftDB 10016914
PDBe KEN
PubChem 1146
PubChem: Thomson Pharma 15296864
SureChEMBL SCHEMBL5582
ZINC ZINC000008216125

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