Homopiperazine-1,4-bis(2-ethanesulfonic acid) (Homo-PIPES) - ≥97%(T) , CAS No.202185-84-0

CAS: 202185-84-0 Cat. No.: H132952 Molecular Weight: 316.39 EC Number: 629-533-2 PubChem CID: 4389145

GRADE & PURITY ≥97%(T)

Synonyms

Homo-PIPES | 1H-1,4-Diazepine-1,4(5H)-diethanesulfonic acid, tetrahydro- | DTXSID00402747 | Homopiperazine-N,N inverted exclamation mark -bis-[2-(ethanesulfonic acid)] | AKOS024375411 | Homopiperazine-N,N'-bis-2-ethanesulphonic acid | FT-0669232 | AMY1962

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Homopiperazine-1,4-bis(2-ethanesulfonic acid) is used as a buffer in experiments involving plant cells at low pH.

Specifications

Synonyms

Homo-PIPES | 1H-1, 4-Diazepine-1, 4(5H)-diethanesulfonic acid, tetrahydro- | DTXSID00402747 | Homopiperazine-N, N inverted exclamation mark -bis-[2-(ethanesulfonic acid)] | AKOS024375411 | Homopiperazine-N, N'-bis-2-ethanesulphonic acid | FT-0669232 | AMY1962

Specifications & Purity

≥97%(T)

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥97%(T)

Names and Identifiers

• Pubchem Sid: 504763001
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763001
• Canonical Smiles: C1CN(CCN(C1)CCS(=O)(=O)O)CCS(=O)(=O)O
• IUPAC Name: 2-[4-(2-sulfoethyl)-1,4-diazepan-1-yl]ethanesulfonic acid
• InChIKey: QZTMPPUJIVQNKS-UHFFFAOYSA-N
• INCHI: 1S/C9H20N2O6S2/c12-18(13,14)8-6-10-2-1-3-11(5-4-10)7-9-19(15,16)17/h1-9H2,(H,12,13,14)(H,15,16,17)
• Isomeric SMILES: C1CN(CCN(C1)CCS(=O)(=O)O)CCS(=O)(=O)O
• WGK Germany: 3
• PubChem CID: 4389145
• Molecular Weight: 316.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazepanes
      • Subclass 1,4-diazepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazepanes
• Subclass: 1,4-diazepanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-diazepanes
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,4-diazepane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Amine - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 4 of the diazepane ring.
• 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

• Sensitivity: Hygroscopic
• Molecular Weight: 316.400 g/mol
• XLogP3: -6.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 316.076 Da
• Monoisotopic Mass: 316.076 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 420.000
• 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: 1