Manganese ammonium pyrophosphate (CED0007443)

Record Information

Version

1.0

Creation Date

2016-05-19 02:56:25 UTC

Update Date

2026-04-16 20:50:56 UTC

Accession Number

CHEM008996

Identification

Common Name

Manganese ammonium pyrophosphate

Class

Small Molecule

Description

Manganese ammonium pyrophosphate is an inorganic compound with the formula H4MnNO7P2 and an average molecular weight of 246.92 g/mol. Manganese ammonium pyrophosphate belongs to the transition metal pyrophosphates, a subclass of transition metal oxoanionic compounds within the inorganic compounds. It is categorized as a mixed metal/non-metal compound. In industrial applications, this substance is used as a dye and a pigment. It has been recorded as being found in or released from electrical and electronic equipment, specifically including power cables, television systems, and antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Manganese(3+) ion amine (hydrogen phosphonatooxy)phosphonic acid	Generator

Chemical Formula

H₄MnNO₇P₂

Average Molecular Mass

246.918 g/mol

Monoisotopic Mass

246.884 g/mol

CAS Registry Number

10101-66-3

IUPAC Name

manganese(3+) ion amine (hydrogen phosphonatooxy)phosphonate

Traditional Name

manganese(3+) ion amine diphosphate(3-)

SMILES

N.[Mn+3].OP([O-])(=O)OP([O-])([O-])=O

InChI Identifier

InChI=1S/Mn.H3N.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;1H3;(H2,1,2,3)(H2,4,5,6)/q+3;;/p-3

InChI Key

UHHXUPJJDHEMGX-UHFFFAOYSA-K

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as transition metal pyrophosphates. These are inorganic compounds in which the largest oxoanion is pyrophosphate, and in which the heaviest atom not in an oxoanion is a transition metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Transition metal oxoanionic compounds

Sub Class

Transition metal pyrophosphates

Direct Parent

Transition metal pyrophosphates

Alternative Parents

Substituents

Transition metal pyrophosphate
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	-1.4	ChemAxon
pKa (Strongest Acidic)	1.7	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	132.78 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	22.16 m³·mol⁻¹	ChemAxon
Polarizability	9.36 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

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
635	Buttons	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Isopentenyl-diphosphate Delta-isomerase 1	O35760	Rattus norvegicus	Predicted (SEA)	1.24559
Click to view 3D structure	Farnesyl pyrophosphate synthase	P05369	Rattus norvegicus	Predicted (SEA)	1.24559
Click to view 3D structure	Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3	Q8WN95	Bos taurus	Predicted (SEA)	1.32344
Click to view 3D structure	Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	Q6P549	Mus musculus	Predicted (SEA)	1.24559
Click to view 3D structure	Type II inositol 1,4,5-trisphosphate 5-phosphatase	P32019	Humans	Predicted (SEA)	1.24559
Click to view 3D structure	Type IV secretion-like conjugative transfer relaxase protein TraI	B1LRJ1	Escherichia coli (strain SMS-3-5 / SECEC)	Predicted (SEA)	0.778492
Click to view 3D structure	Inositol-trisphosphate 3-kinase A	P17105	Rattus norvegicus	Predicted (SEA)	1.32344
Click to view 3D structure	4-hydroxy-3-methylbut-2-enyl diphosphate reductase	O67625	Aquifex aeolicus (strain VF5)	Predicted (SEA)	1.79053
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	3145.11
Click to view 3D structure	Inositol polyphosphate-5-phosphatase A	Q14642	Humans	Predicted (SEA)	1.08989
Click to view 3D structure	Fructose-bisphosphate aldolase class 2	P0AB71	Escherichia coli (strain K12)	Predicted (SEA)	6.85073
Click to view 3D structure	Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3	Q14573	Humans	Predicted (SEA)	1.71268
Click to view 3D structure	Type 1 InsP3 receptor isoform S2	P79248	Sus scrofa	Predicted (SEA)	1.47914
Click to view 3D structure	Triosephosphate isomerase	P00939	Oryctolagus cuniculus	Predicted (SEA)	1.63483
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	10.3539
Click to view 3D structure	Inositol 1,4,5-trisphosphate binding protein	Q62688	Rattus norvegicus	Predicted (SEA)	1.55698
Click to view 3D structure	Fructose-bisphosphate aldolase A	P00883	Oryctolagus cuniculus	Predicted (SEA)	3.65891
Click to view 3D structure	Inositol 1,4,5-trisphosphate-gated calcium channel ITPR1	P29994	Rattus norvegicus	Predicted (SEA)	6.77288
Click to view 3D structure	Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	O15357	Humans	Predicted (SEA)	77.8492
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	1999.17
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	1925.6
Click to view 3D structure	Ribose-5-phosphate isomerase B	P9WKD7	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	9.41976
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Predicted (SEA)	1125.54
Click to view 3D structure	1-deoxy-D-xylulose 5-phosphate reductoisomerase	P45568	Escherichia coli (strain K12)	Predicted (SEA)	167.921
Click to view 3D structure	6-phosphogluconolactonase	Q9GRG6	Trypanosoma brucei	Predicted (SEA)	10.3539