Piperazine Adipate - ≥98%(T) , CAS No.142-88-1

CAS: 142-88-1 Cat. No.: P160731 Molecular Weight: 232.28 EC Number: 205-569-0 PubChem CID: 8905

GRADE & PURITY ≥98%(T)

Synonyms

hexanedioic acid; piperazine | Vermicompren | W-109511 | D02145 | Oxypaat | Nometan | PIPERAZINE ADIPATE [MART.] | Piperazine adipate, United States Pharmacopeia (USP) Reference Standard | Piperazine adipate; piperazine hexanedioate | PIPERAZINE, HEXANEDI

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

hexanedioic acid; piperazine | Vermicompren | W-109511 | D02145 | Oxypaat | Nometan | PIPERAZINE ADIPATE [MART.] | Piperazine adipate, United States Pharmacopeia (USP) Reference Standard | Piperazine adipate; piperazine hexanedioate | PIPERAZINE, HEXANEDI

Specifications & Purity

≥98%(T)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504751762
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751762
• Canonical Smiles: C1CNCCN1.C(CCC(=O)O)CC(=O)O
• IUPAC Name: hexanedioic acid;piperazine
• InChIKey: BVEGEKOBSPXUJS-UHFFFAOYSA-N
• INCHI: 1S/C6H10O4.C4H10N2/c7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2
• Isomeric SMILES: C1CNCCN1.C(CCC(=O)O)CC(=O)O
• RTECS: MO1955000
• PubChem CID: 8905
• Molecular Weight: 232.28
• Reaxy-Rn: 3740365

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Medium-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 232.280 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 232.142 Da
• Monoisotopic Mass: 232.142 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 140.000
• 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: 2

XLogP3