Record Information
Version1.0
Creation date2010-04-08 22:10:41 UTC
Update date2018-05-29 01:04:55 UTC
Primary IDFDB013396
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAmmonium hydroxide
DescriptionAmmonium hydroxide, also known as agua de amoniaco or ammonia aqueous, 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. Ammonium hydroxide is a very strong basic compound (based on its pKa). Ammonium hydroxide exists in all living organisms, ranging from bacteria to humans.
CAS Number1336-21-6
Structure
Thumb
Synonyms
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaH5NO
IUPAC nameammonium hydroxide
InChI IdentifierInChI=1S/H3N.H2O/h1H3;1H2
InChI KeyVHUUQVKOLVNVRT-UHFFFAOYSA-N
Isomeric SMILES[NH4+].[OH-]
Average Molecular Weight35.0458
Monoisotopic Molecular Weight35.037113787
Classification
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
Ontology
Disposition

Source:

Role

Biological role:

Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-33c04c55b9ccccd960a22016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-33c04c55b9ccccd960a22016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-33c04c55b9ccccd960a22016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-60c03f5b2d0e63f2e3672016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-60c03f5b2d0e63f2e3672016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-60c03f5b2d0e63f2e3672016-08-03View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC01358
Pubchem Compound ID14923
Pubchem Substance IDNot Available
ChEBI ID18219
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34832
CRC / DFC (Dictionary of Food Compounds) IDHVD34-P:HVD34-P
EAFUS ID178
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1219761
SuperScent IDNot Available
Wikipedia IDAmmonium_hydroxide
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Processing...
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference