ammonium (CHEM042123)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-27 01:51:45 UTC
Update Date2016-11-09 01:22:36 UTC
Accession NumberCHEM042123
Identification
Common Nameammonium
ClassSmall Molecule
DescriptionAn onium cation obtained by protonation of ammonia.
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
[NH4](+)ChEBI
Ammonium cationChEBI
Ammonium ionChEBI
Ammonium(1+)ChEBI
NH4+ChEBI
NH4(+)ChEBI
Ammonia ionKegg
Ammonium chlorideHMDB
AzaniumHMDB
[NH4]+HMDB
Ammonium compoundsHMDB
Chemical FormulaH4N
Average Molecular Mass18.039 g/mol
Monoisotopic Mass18.034 g/mol
CAS Registry NumberNot Available
IUPAC Nameazanium
Traditional Nameazanium
SMILES[NH4+]
InChI IdentifierInChI=1S/H3N/h1H3/p+1
InChI KeyQGZKDVFQNNGYKY-UHFFFAOYSA-O
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous other non-metal compounds
Sub ClassNot Available
Direct ParentHomogeneous other non-metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous other non metal
Molecular FrameworkNot Available
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
logP-0.98ChemAxon
pKa (Strongest Basic)8.86ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity16.31 m³·mol⁻¹ChemAxon
Polarizability2.38 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-865a280eac64792eb43eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-865a280eac64792eb43eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-865a280eac64792eb43eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-b764e01bee53b44bf449Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-b764e01bee53b44bf449Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-b764e01bee53b44bf449Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-4d3180e05bafd704562fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-4d3180e05bafd704562fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-4d3180e05bafd704562fSpectrum
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 IDNot Available
HMDB IDHMDB0041827
FooDB IDFDB030676
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDAMMONIUM
METLIN IDNot Available
PDB IDNH4
Wikipedia LinkAmmonium
Chemspider ID218
ChEBI ID28938
PubChem Compound ID16741146
Kegg Compound IDC01342
YMDB IDYMDB00423
ECMDB IDECMDB21186
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=11319011
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=11341317
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=12096804
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=14512268
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=14879753
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=16345391
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=16903292
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=17392693
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=18515490
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=19199063
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=19596600
12. https://www.ncbi.nlm.nih.gov/pubmed/?term=19682559
13. https://www.ncbi.nlm.nih.gov/pubmed/?term=19716251
14. https://www.ncbi.nlm.nih.gov/pubmed/?term=21993530
15. https://www.ncbi.nlm.nih.gov/pubmed/?term=22265469
16. https://www.ncbi.nlm.nih.gov/pubmed/?term=22524020
17. https://www.ncbi.nlm.nih.gov/pubmed/?term=22562341
18. https://www.ncbi.nlm.nih.gov/pubmed/?term=22631217