Ammonium polyphosphate（APP） - n≥1500 , CAS No.68333-79-9

CAS: 68333-79-9 Cat. No.: A669915 Formula: (NH₄PO₃)n EC Number: 269-789-9

GRADE & PURITY n≥1500

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

n≥1500

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Pubchem Sid

528774855

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528774855

Canonical Smiles

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

IUPAC Name

triazanium;phosphate

InChIKey

ZRIUUUJAJJNDSS-UHFFFAOYSA-N

INCHI

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

Isomeric SMILES

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

Reaxy-Rn

13206739

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13206739&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Homogeneous non-metal compounds
    • Class Non-metal oxoanionic compounds
      • Subclass Non-metal phosphates

• Kingdom: Inorganic compounds
• Superclass: Homogeneous non-metal compounds
• Class: Non-metal oxoanionic compounds
• Subclass: Non-metal phosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Non-metal phosphates
• Alternative Parents: Inorganic salts Inorganic oxides
• Molecular Framework: Not available
• Substituents: Non-metal phosphate - Inorganic oxide - Inorganic salt
• Description: This compound 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.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 149.090 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 149.057 Da
• Monoisotopic Mass: 149.057 Da
• Topological Polar Surface Area: 89.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 36.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3