Piperazine Phosphate Monohydrate - ≥97% , CAS No.18534-18-4

CAS: 18534-18-4 Cat. No.: P189055 Formula: C₄H₁₀N₂·H₃PO₄·H₂O Molecular Weight: 202.15 PubChem CID: 443965

GRADE & PURITY ≥97%

Synonyms

Piperazine hydrogen phosphate monohydrate | piperazine hydrogen phosphate hydrate | piperazine phosphate hydrate | 8TIF7T48FP | FT-0737372 | AKOS015962963 | FEMA NO. 4386, E,E- | D91965 | SCHEMBL1972873 | 1,7,8,10,11,12,13,15,16,17-DECAHYDRO-10,13-DIMETHY

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Piperazine hydrogen phosphate monohydrate | piperazine hydrogen phosphate hydrate | piperazine phosphate hydrate | 8TIF7T48FP | FT-0737372 | AKOS015962963 | FEMA NO. 4386, E,E- | D91965 | SCHEMBL1972873 | 1,7,8,10,11,12,13,15,16,17-DECAHYDRO-10,13-DIMETHY

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

488189818

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189818

Canonical Smiles

C1CNCCN1.O.OP(=O)(O)O

IUPAC Name

phosphoric acid;piperazine;hydrate

InChIKey

PMGABIJVFLPSLS-UHFFFAOYSA-N

INCHI

1S/C4H10N2.H3O4P.H2O/c1-2-6-4-3-5-1;1-5(2,3)4;/h5-6H,1-4H2;(H3,1,2,3,4);1H2

Isomeric SMILES

C1CNCCN1.O.OP(=O)(O)O

Alternate CAS

14538-56-8

PubChem CID

443965

Molecular Weight

202.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazines
• Alternative Parents: Organic phosphoric acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine - Organic phosphoric acid derivative - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperazines. These are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
• External Descriptors: piperazinium salt - organoammonium phosphate

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: 202.150 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 202.072 Da
• Monoisotopic Mass: 202.072 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 76.300
• 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: 3

XLogP3

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 18534-18-4, the molecular formula is C4H15N2O5P, and the molecular weight is 202.15 g/mol. InChIKey PMGABIJVFLPSLS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.