Record Information
Version1.0
Creation Date2016-05-26 00:43:09 UTC
Update Date2016-11-09 01:18:45 UTC
Accession NumberCHEM028810
Identification
Common NameAmmonium hydroxide
ClassSmall Molecule
DescriptionA solution of ammonia in water.
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Agua de amoniacoChEBI
Ammonia aqueousChEBI
Ammonia solutionChEBI
Ammonia waterChEBI
AmmoniaqueChEBI
AmmoniumhydroxidChEBI
e527ChEBI
Hidroxido de amonioChEBI
Hydroxyde d'ammoniumChEBI
NH4OHChEBI
Ammonium hydroxideKEGG
Hydroxide, ammoniumMeSH
Chemical FormulaH5NO
Average Molecular Mass35.046 g/mol
Monoisotopic Mass35.037 g/mol
CAS Registry Number1336-21-6
IUPAC Nameammonium hydroxide
Traditional Nameammonium hydroxide
SMILES[NH4+].[OH-]
InChI IdentifierInChI=1S/H3N.H2O/h1H3;1H2
InChI KeyVHUUQVKOLVNVRT-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as non-metal hydroxides. These are inorganic non-metallic compounds containing the hydroxide group as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal hydroxides
Direct ParentNon-metal hydroxides
Alternative Parents
Substituents
  • Non-metal hydroxide
  • Inorganic hydride
  • Inorganic oxide
  • Inorganic salt
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, Positivesplash10-000i-9000000000-33c04c55b9ccccd960a2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-33c04c55b9ccccd960a2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-33c04c55b9ccccd960a2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-60c03f5b2d0e63f2e367Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-60c03f5b2d0e63f2e367Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-60c03f5b2d0e63f2e367Spectrum
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 IDHMDB0034832
FooDB IDFDB013396
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNH4OH
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkAmmonium_hydroxide
Chemspider IDNot Available
ChEBI ID18219
PubChem Compound ID14923
Kegg Compound IDC01358
YMDB IDNot Available
ECMDB IDECMDB21647
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=21145665
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=21375888
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=21450410
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=21535717
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=21535721
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=21939976
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=22532436
8.
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