clorhidrato de 4-metilpiperazina-1-sulfonilo - ≥95% , CAS No.33581-96-3

CAS: 33581-96-3 Cat. No.: M192810 Peso molecular: 235.13 Número EC: 801-815-1 PubChem CID: 18798705

GRADE & PURITY ≥95%

Synonyms

33581-96-3|Clorhidrato de cloruro de 4-metilpiperazina-1-sulfonilo|Clorhidrato de cloruro de 4-metil-1-piperazinasulfonilo|Cloruro de 4-metilpiperazina-1-sulfonilo;clorhidrato|Cloruro de 4-metilpiperazina-1-sulfonilo HCl|MFCD13186323|C5H12Cl2N2O2S|SCHEMBL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

33581-96-3 | Clorhidrato de cloruro de 4-metilpiperazina-1-sulfonilo | Clorhidrato de cloruro de 4-metil-1-piperazinasulfonilo | Cloruro de 4-metilpiperazina-1-sulfonilo;clorhidrato | Cloruro de 4-metilpiperazina-1-sulfonilo HCl | MFCD13186323 | C5H12Cl2N2O2S | SCHEMBL

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(CC1)S(=O)(=O)Cl.Cl
• IUPAC Name: 4-methylpiperazine-1-sulfonyl chloride;hydrochloride
• InChIKey: AYGQXEFMLQQXOD-UHFFFAOYSA-N
• INCHI: 1S/C5H11ClN2O2S.ClH/c1-7-2-4-8(5-3-7)11(6,9)10;/h2-5H2,1H3;1H
• Isómeros SMILES: CN1CCN(CC1)S(=O)(=O)Cl.Cl
• PubChem CID: 18798705
• Peso molecular: 235.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines
        • Level5 N-alkylpiperazines
          • Level6 N-methylpiperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: N-alkylpiperazines
• Direct Parent: N-methylpiperazines
• Alternative Parents: Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-methylpiperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-methylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries a methyl group.
• 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

Propiedades químicas y físicas

• Peso molecular: 235.130 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 234 Da
• Monoisotopic Mass: 234 Da
• Topological Polar Surface Area: 49.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 215.000
• 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

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