Showing Compound Potassium nitrite (KNO2) (FDB015408)

Record Information

Version

1.0

Creation date

2010-04-08 22:11:49 UTC

Update date

2019-11-26 03:11:34 UTC

Primary ID

FDB015408

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Potassium nitrite (KNO2)

Description

Potassium 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 Number

7758-09-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
E249	db_source
Nitrous acid potassium salt, 8CI	db_source
Nitrous acid, potassium salt	biospider
Nitrous acid, potassium salt (1:1)	biospider
Potassium nitrite	db_source
Potassium nitrite (1:1)	biospider
Potassium nitrite [UN1488] [Oxidizer]	biospider

Predicted Properties

Property	Value	Source
logP	0.17	ChemAxon
pKa (Strongest Acidic)	3.32	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.49 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	7.6 m³·mol⁻¹	ChemAxon
Polarizability	2.44 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

KNO2

IUPAC name

potassium nitrite

InChI Identifier

InChI=1S/K.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1

InChI Key

BXNHTSHTPBPRFX-UHFFFAOYSA-M

Isomeric SMILES

[K+].[O-]N=O

Average Molecular Weight

85.1038

Monoisotopic Molecular Weight

84.95661011

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.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkali metal oxoanionic compounds

Sub Class

Alkali metal nitrites

Direct Parent

Alkali metal nitrites

Alternative Parents

Substituents

Alkali metal nitrite
Inorganic nitrite
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

Not Available

Ontology

No ontology term

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	K 45.94%; N 16.46%; O 37.60%	DFC
Melting Point	Mp 440°	DFC
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Potassium nitrite (KNO2), non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-001i-9000000000-e60ddfbbc2acd3780a5c	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-9000000000-daef1bc2a1ca857a1332	2019-02-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-9000000000-059350c5062db4fcc53f	2019-02-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-9000000000-9b896e4e7609011eac15	2019-02-23	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

516910

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

Not Available

CRC / DFC (Dictionary of Food Compounds) ID

KBX39-N:KBX39-N

EAFUS ID

3138

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound Potassium nitrite (KNO2) (FDB015408)

Structure for FDB015408 (Potassium nitrite (KNO2))