Showing Compound Diammonium hydrogen phosphate ((NH4)2HPO4) (FDB013357)

Record Information

Version

1.0

Creation date

2010-04-08 22:10:40 UTC

Update date

2015-07-20 22:58:11 UTC

Primary ID

FDB013357

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Diammonium hydrogen phosphate ((NH4)2HPO4)

Description

Diammonium hydrogen phosphate ((NH4)2HPO4), also known as ammonium phosphate or ammonium monohydrogen phosphate, 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. Diammonium hydrogen phosphate ((NH4)2HPO4) is a moderately acidic compound (based on its pKa).

CAS Number

7783-28-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

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Synonym	Source
Akoustan a	biospider
Ammonium hydrogen phosphate	MeSH
Ammonium hydrogenphosphate	biospider
Ammonium monohydrogen orthophosphate	ChEBI
Ammonium monohydrogen orthophosphoric acid	Generator
Ammonium monohydrogen phosphate	ChEBI
Ammonium monohydrogen phosphoric acid	Generator
Ammonium orthophosphate	MeSH
Ammonium orthophosphate dibasic	ChEBI
Ammonium orthophosphoric acid dibasic	Generator

Showing 1 to 10 of 60 entries

Predicted Properties

Property	Value	Source
logP	-1	ChemAxon
pKa (Strongest Acidic)	1.8	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	83.42 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	12.41 m³·mol⁻¹	ChemAxon
Polarizability	5.23 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

H9N2O4P

IUPAC name

diammonium hydrogen phosphate

InChI Identifier

InChI=1S/2H3N.H3O4P/c;;1-5(2,3)4/h2*1H3;(H3,1,2,3,4)

InChI Key

MNNHAPBLZZVQHP-UHFFFAOYSA-N

Isomeric SMILES

[NH4+].[NH4+].OP([O-])([O-])=O

Average Molecular Weight

132.0562

Monoisotopic Molecular Weight

132.029993298

Classification

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.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Non-metal oxoanionic compounds

Sub Class

Non-metal phosphates

Direct Parent

Non-metal phosphates

Alternative Parents

Substituents

Non-metal phosphate
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

ammonium salt (CHEBI:63051 )
inorganic phosphate (CHEBI:63051 )

Ontology

Disposition

Source:

Food

Role

Biological role:

Nutrient

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

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Property	Value	Reference
Boiling Point	Not Available
Charge	Not Available
Density	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Experimental Water Solubility	Not Available
Isoelectric point	Not Available
Mass Composition	H 6.87%; N 21.21%; O 48.46%; P 23.46%	DFC
Melting Point	Mp 185° dec.	DFC
Optical Rotation	Not Available

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Diammonium hydrogen phosphate ((NH4)2HPO4), non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-001i-0900000000-202c1adfa02066a9125e	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-0900000000-6e40049be0415cf35715	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-0900000000-6e40049be0415cf35715	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-0900000000-6e40049be0415cf35715	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0900000000-69518721cbefede0ca34	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-0900000000-69518721cbefede0ca34	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-0900000000-69518721cbefede0ca34	2016-08-03	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

24540

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB34799

CRC / DFC (Dictionary of Food Compounds) ID

HTM76-I:HTM76-I

EAFUS ID

182

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

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Food	Content Range	Average	Reference

Processing...

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 Diammonium hydrogen phosphate ((NH4)2HPO4) (FDB013357)

Structure for FDB013357 (Diammonium hydrogen phosphate ((NH4)2HPO4))