Record Information
Version1.0
Creation date2010-04-08 22:11:49 UTC
Update date2019-11-26 03:11:34 UTC
Primary IDFDB015408
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium nitrite (KNO2)
DescriptionPotassium nitrite belongs to the class of inorganic compounds known as alkali metal nitrites. These are inorganic compounds in which the largest oxoanion is nitrite, and in which the heaviest atom not in an oxoanion is an alkali metal. Based on a literature review very few articles have been published on Potassium nitrite.
CAS Number7758-09-0
Structure
Thumb
Synonyms
SynonymSource
E249db_source
Nitrous acid potassium salt, 8CIdb_source
Nitrous acid, potassium saltbiospider
Nitrous acid, potassium salt (1:1)biospider
Potassium nitritedb_source
Potassium nitrite (1:1)biospider
Potassium nitrite [UN1488] [Oxidizer]biospider
Predicted Properties
PropertyValueSource
logP0.17ChemAxon
pKa (Strongest Acidic)3.32ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area52.49 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.6 m³·mol⁻¹ChemAxon
Polarizability2.44 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaKNO2
IUPAC namepotassium nitrite
InChI IdentifierInChI=1S/K.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1
InChI KeyBXNHTSHTPBPRFX-UHFFFAOYSA-M
Isomeric SMILES[K+].[O-]N=O
Average Molecular Weight85.1038
Monoisotopic Molecular Weight84.95661011
Classification
Description Belongs to the class of inorganic compounds known as alkali metal nitrites. These are inorganic compounds in which the largest oxoanion is nitrite, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal nitrites
Direct ParentAlkali metal nitrites
Alternative Parents
Substituents
  • Alkali metal nitrite
  • Inorganic nitrite
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionK 45.94%; N 16.46%; O 37.60%DFC
Melting PointMp 440°DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSPotassium nitrite (KNO2), non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-001i-9000000000-e60ddfbbc2acd3780a5cSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-daef1bc2a1ca857a1332Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-059350c5062db4fcc53fSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-9b896e4e7609011eac15Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID516910
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBX39-N:KBX39-N
EAFUS ID3138
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference