1-(Ethanesulfonyl)piperazine - ≥97% , CAS No.62937-96-6

CAS: 62937-96-6 Cat. No.: E171248 Summenformel: C₆H₁₄N₂O₂S Molekulargewicht: 178.25 EG-Nummer: 625-313-5

GRADE & PURITY ≥97%

Synonyms

3-METHYL-2-OXOBUTANOICACIDSODIUMSALT | BAS 03362899 | Oprea1_200154 | 1-ethanesulfonylpiperazine | 1-Ethanesulfonyl-piperazine | 1-(Ethanesulfonyl)piperazine, 97% | PS-5061 | 1-(Ethanesulfonyl)piperazine | 1-(ethylsulphonyl)piperazine | ethanesulfonylpipe

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

3-METHYL-2-OXOBUTANOICACIDSODIUMSALT | BAS 03362899 | Oprea1_200154 | 1-ethanesulfonylpiperazine | 1-Ethanesulfonyl-piperazine | 1-(Ethanesulfonyl)piperazine, 97% | PS-5061 | 1-(Ethanesulfonyl)piperazine | 1-(ethylsulphonyl)piperazine | ethanesulfonylpipe

Spezifikationen & Reinheit

≥97%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CCS(=O)(=O)N1CCNCC1

IUPAC Name

1-ethylsulfonylpiperazine

InChIKey

BIYGAOBOLDXNHM-UHFFFAOYSA-N

INCHI

1S/C6H14N2O2S/c1-2-11(9,10)8-5-3-7-4-6-8/h7H,2-6H2,1H3

Isomere SMILES

CCS(=O)(=O)N1CCNCC1

WGK Deutschland

2

Molekulargewicht

178.25

Reaxy-Rn

128502

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128502&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazines
• Alternative Parents: Organosulfonamides Organic sulfonamides Sulfonyls Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: 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: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 69-72°C
• Molekulargewicht: 178.260 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 178.078 Da
• Monoisotopic Mass: 178.078 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 201.000
• 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

Häufig gestellte Fragen

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 62937-96-6, the molecular formula is C6H14N2O2S, and the molecular weight is 178.25 g/mol. InChIKey BIYGAOBOLDXNHM-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.