1,4-Diazabicyclo[2.2.2]octane Dihydrochloride - ≥98% , CAS No.49563-87-3

CAS: 49563-87-3 Cat. No.: D154257 Peso molecular: 185.09 Número EC: 833-605-0 PubChem CID: 12254369

GRADE & PURITY ≥98%

Synonyms

1,4-diazabicyclo[2.2.2]octanedihydrochloride | ZBA56387 | 1,4-DIAZABICYCLO[2.2.2]OCTANE 2HCL | 1,4-Diazabicyclo[2.2.2]octane-1,4-diium chloride | MFCD30749261 | SCHEMBL11381190 | D5251 | T70961 | 1,4-diazabicyclo[2.2.2]octane;dihydrochloride | 1,4-diazabi

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 4-diazabicyclo[2.2.2]octanedihydrochloride | ZBA56387 | 1, 4-DIAZABICYCLO[2.2.2]OCTANE 2HCL | 1, 4-Diazabicyclo[2.2.2]octane-1, 4-diium chloride | MFCD30749261 | SCHEMBL11381190 | D5251 | T70961 | 1, 4-diazabicyclo[2.2.2]octane;dihydrochloride | 1, 4-diazabi

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504767017
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767017
• Sonrisas canónicas: C1CN2CCN1CC2.Cl.Cl
• IUPAC Name: 1,4-diazabicyclo[2.2.2]octane;dihydrochloride
• InChIKey: FXNCMDQKBKIDGU-UHFFFAOYSA-N
• INCHI: 1S/C6H12N2.2ClH/c1-2-8-5-3-7(1)4-6-8;;/h1-6H2;2*1H
• Isómeros SMILES: C1CN2CCN1CC2.Cl.Cl
• PubChem CID: 12254369
• Peso molecular: 185.09

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpiperazines
• Alternative Parents: Trialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: N-alkylpiperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
• Descripción: 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: 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

• Solubilidad: Soluble in water
• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 320°C(dec.)(lit.)
• Peso molecular: 185.090 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 184.053 Da
• Monoisotopic Mass: 184.053 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 61.500
• 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: 3

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