AMMONIUM PHOSPHATE, MONOBASIC (CHEM004712)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 01:54:01 UTC
Update Date2016-11-09 01:09:24 UTC
Accession NumberCHEM004712
Identification
Common NameAMMONIUM PHOSPHATE, MONOBASIC
ClassSmall Molecule
DescriptionThe ammonium salt of phosphoric acid (molar ratio 1:1).
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • OECD HPV Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Ammonium acid phosphateChEBI
Ammonium biphosphateChEBI
Ammonium diacid phosphateChEBI
Ammonium dihydrogen orthophosphateChEBI
Ammonium dihydrophosphateChEBI
Ammonium monobasic phosphateChEBI
Ammonium monophosphateChEBI
Ammonium orthophosphate dihydrogenChEBI
Dihydrogen ammonium phosphateChEBI
Monoammonium acid phosphateChEBI
Monoammonium dihydrogen orthophosphateChEBI
Monoammonium dihydrogen phosphateChEBI
Monoammonium hydrogen phosphateChEBI
Monoammonium orthophosphateChEBI
Monoammonium phosphateChEBI
Monobasic ammonium phosphateChEBI
Phosphoric acid, monoammonium saltChEBI
Primary ammonium phosphateChEBI
Ammonium acid phosphoric acidGenerator
Ammonium biphosphoric acidGenerator
Ammonium diacid phosphoric acidGenerator
Ammonium dihydrogen orthophosphoric acidGenerator
Ammonium dihydrophosphoric acidGenerator
Ammonium monobasic phosphoric acidGenerator
Ammonium monophosphoric acidGenerator
Ammonium orthophosphoric acid dihydrogenGenerator
Dihydrogen ammonium phosphoric acidGenerator
Monoammonium acid phosphoric acidGenerator
Monoammonium dihydrogen orthophosphoric acidGenerator
Monoammonium dihydrogen phosphoric acidGenerator
Monoammonium hydrogen phosphoric acidGenerator
Monoammonium orthophosphoric acidGenerator
Monoammonium phosphoric acidGenerator
Monobasic ammonium phosphoric acidGenerator
Phosphate, monoammonium saltGenerator
Primary ammonium phosphoric acidGenerator
Ammonium dihydrogenphosphoric acidGenerator
Ammonium phosphateMeSH
Ammonium orthophosphateMeSH
Ammonium phosphate, dibasicMeSH
Diammonium phosphateMeSH
Ammonium hydrogen phosphateMeSH
Diammonium hydrogen phosphateMeSH
Triammonium phosphateMeSH
Ammonium phosphate, tribasicMeSH
Tribasic ammonium phosphateMeSH
Ammonium phosphate ((NH4)3po4)MeSH
Ammonium phosphate, monobasicMeSH
Phosphoric acid, ammonium saltMeSH
Primary ammonum phosphateMeSH
Chemical FormulaH6NO4P
Average Molecular Mass115.026 g/mol
Monoisotopic Mass115.003 g/mol
CAS Registry Number7722-76-1
IUPAC Nameammonium dihydrogen phosphate
Traditional Nameammonium dihydrogen phosphate
SMILES[NH4+].OP(O)([O-])=O
InChI IdentifierInChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)
InChI KeyLFVGISIMTYGQHF-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal phosphates
Direct ParentNon-metal phosphates
Alternative Parents
Substituents
  • Non-metal phosphate
  • 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-1ChemAxon
pKa (Strongest Acidic)1.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area80.59 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.53 m³·mol⁻¹ChemAxon
Polarizability5.53 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-3900000000-8fe0baf8df7336d2d3faSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-0900000000-03e0206f7982fb880eebSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0900000000-03e0206f7982fb880eebSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-0900000000-03e0206f7982fb880eebSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-96265901853aa50d8d71Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-0900000000-96265901853aa50d8d71Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-0900000000-96265901853aa50d8d71Spectrum
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 IDHMDB0034805
FooDB IDFDB013363
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkAmmonium dihydrogen phosphate
Chemspider IDNot Available
ChEBI ID62982
PubChem Compound ID24402
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=18585075
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=20338805