PIPES Monosodium salt - ≥99% , CAS No.10010-67-0

CAS: 10010-67-0 Cat. No.: P113024 Molecular Weight: 324.35 EC Number: 233-005-3

GRADE & PURITY ≥99%

Synonyms

PIPES 1Na | 1,4-Piperazinediethanesulfonic acid, monosodium salt | CHEBI:63077 | N-ALPHA-T-BUTYLOXYCARBONYL-L-VALINE | Piperazine-1,4-bis(2-ethanesulfonic Acid) Monosodium Salt | AKOS015897895 | Q27132363 | SCHEMBL5447715 | sodium PIPES | PIPES monosodium

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

PIPES 1Na | 1, 4-Piperazinediethanesulfonic acid, monosodium salt | CHEBI:63077 | N-ALPHA-T-BUTYLOXYCARBONYL-L-VALINE | Piperazine-1, 4-bis(2-ethanesulfonic Acid) Monosodium Salt | AKOS015897895 | Q27132363 | SCHEMBL5447715 | sodium PIPES | PIPES monosodium

Specifications & Purity

≥99%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488200449
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200449
• Canonical Smiles: C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonate
• InChIKey: OGGAIRCLBMGXCZ-UHFFFAOYSA-M
• INCHI: 1S/C8H18N2O6S2.Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;/h1-8H2,(H,11,12,13)(H,14,15,16);/q;+1/p-1
• Isomeric SMILES: C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)[O-].[Na+]
• WGK Germany: 3
• Molecular Weight: 324.35
• Reaxy-Rn: 4630397
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4630397&ln=

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: N-alkylpiperazines
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Trialkylamines Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpiperazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary aliphatic amine - Tertiary amine - Organic alkali metal salt - Azacycle - Organic sodium salt - Organic salt - Organic zwitterion - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group.
• External Descriptors: organic sodium salt

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

• Solubility: Soluble in water
• Sensitivity: light sensitive;Moisture sensitive
• Molecular Weight: 324.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 324.043 Da
• Monoisotopic Mass: 324.043 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 447.000
• 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