Record Information
Version1.0
Creation Date2016-06-03 10:02:45 UTC
Update Date2016-11-09 01:22:43 UTC
Accession NumberCHEM042640
Identification
Common Nametetramethylammonium
ClassSmall Molecule
Description
Contaminant Sources
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
(CH3)4N(+)ChEBI
[NMe4](+)ChEBI
TETRAMETHYLAMMONIUM ionChEBI
TetramethylazaniumChEBI
TrimethylaminomethaneChEBI
Tetramethylammonium hydrogen dichlorideMeSH
Tetramethylammonium hydroxideMeSH
Tetraamethylammonium acetateMeSH
Tetramethylammonium iodideMeSH
Tetramethylammonium nitrateMeSH
Tetramethylammonium bromideMeSH
Tetramethylammonium chlorideMeSH
Tetramethylammonium fluorideMeSH
Tetramethylammonium hydroxide pentahydrateMeSH
Tetramethylammonium perchlorateMeSH
Tetramethylammonium sulfate (2:1)MeSH
Tetramethylammonium tribromideMeSH
Tetramethylammonium triiodideMeSH
Chemical FormulaC4H12N
Average Molecular Mass74.145 g/mol
Monoisotopic Mass74.097 g/mol
CAS Registry Number51-92-3
IUPAC Nametetramethylazanium
Traditional Nametetramethylammonium
SMILESC[N+](C)(C)C
InChI IdentifierInChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
InChI KeyQEMXHQIAXOOASZ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassQuaternary ammonium salts
Direct ParentTetraalkylammonium salts
Alternative Parents
Substituents
  • Tetraalkylammonium salt
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic salt
  • Amine
  • Organic cation
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.13 g/LALOGPS
logP-4.1ALOGPS
logP-4ChemAxon
logS-2.9ALOGPS
Physiological Charge1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity35.9 m³·mol⁻¹ChemAxon
Polarizability9.75 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-05fr-9000000000-150e98fe1c7e8f2b032cSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB03095
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkTetramethylammonium
Chemspider IDNot Available
ChEBI ID46020
PubChem Compound ID6380
Kegg Compound IDC20292
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=10421447
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=10788331