ContaminantDB: Tri-Ammonium phosphate trihydrate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 02:57:57 UTC

Update Date

2016-11-09 01:13:55 UTC

Accession Number

CHEM009085

Identification

Common Name

Tri-Ammonium phosphate trihydrate

Class

Small Molecule

Description

Contaminant Sources

HPV EPA Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Triammonium orthophosphoric acid	Generator
Monobasic ammonium phosphate	MeSH
Tribasic ammonium phosphate	MeSH
Monoammonium phosphate	MeSH
Ammonium phosphate, tribasic	MeSH
Ammonium orthophosphate	MeSH
Diammonium phosphate	MeSH
Ammonium hydrogen phosphate	MeSH
Ammonium phosphate	MeSH
Diammonium hydrogen phosphate	MeSH
Primary ammonum phosphate	MeSH
Ammonium phosphate, dibasic	MeSH
Ammonium phosphate ((NH4)3po4)	MeSH
Phosphoric acid, ammonium salt	MeSH
Ammonium phosphate, monobasic	MeSH
Triammonium phosphate	MeSH
Phosphate triamine	Generator

Chemical Formula

H₁₂N₃O₄P

Average Molecular Mass

149.087 g/mol

Monoisotopic Mass

149.057 g/mol

CAS Registry Number

10361-65-6

IUPAC Name

phosphoric acid triamine

Traditional Name

phosphoric acid triamine

SMILES

N.N.N.OP(O)(O)=O

InChI Identifier

InChI=1S/3H3N.H3O4P/c;;;1-5(2,3)4/h3*1H3;(H3,1,2,3,4)

InChI Key

ZRIUUUJAJJNDSS-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.

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

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

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	ChemAxon
pKa (Strongest Acidic)	1.8	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	77.76 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	14.65 m³·mol⁻¹	ChemAxon
Polarizability	5.81 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0900000000-b1decee50272992aaa2b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-b1decee50272992aaa2b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-0900000000-b1decee50272992aaa2b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-0900000000-df3c1a4b458e0d31bbe5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0002-0900000000-df3c1a4b458e0d31bbe5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0002-0900000000-df3c1a4b458e0d31bbe5	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

159282

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Tri-Ammonium phosphate trihydrate (CHEM009085)

Structure for CHEM009085: Tri-Ammonium phosphate trihydrate