(8aS)-7,7-difluoro-octahydropyrrolo[1,2-a]pyrazine dihydrochloride - ≥97% , CAS No.1305712-21-3

CAS: 1305712-21-3 Cat. No.: D628174 Peso molecular: 235.1 Número EC: 830-163-0 PubChem CID: 50988389

GRADE & PURITY ≥97%

Synonyms

(S)-7,7-Difluorooctahydropyrrolo[1,2-a]pyrazinedihydrochloride | SCHEMBL18280713 | PS-20564 | (8As)-7,7-difluoro-octahydropyrrolo[1,2-a]pyrazinedihydrochloride | 1305712-21-3 | A888700 | AKOS024465081 | Pyrrolo[1,2-a]pyrazine, 7,7-difluorooctahydro-, hydr

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(S)-7, 7-Difluorooctahydropyrrolo[1, 2-a]pyrazinedihydrochloride | SCHEMBL18280713 | PS-20564 | (8As)-7, 7-difluoro-octahydropyrrolo[1, 2-a]pyrazinedihydrochloride | 1305712-21-3 | A888700 | AKOS024465081 | Pyrrolo[1, 2-a]pyrazine, 7, 7-difluorooctahydro-, hydr

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CN2CC(CC2CN1)(F)F.Cl.Cl
• IUPAC Name: (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
• InChIKey: QZJJVCXSBJSFOG-ILKKLZGPSA-N
• INCHI: 1S/C7H12F2N2.2ClH/c8-7(9)3-6-4-10-1-2-11(6)5-7;;/h6,10H,1-5H2;2*1H/t6-;;/m0../s1
• Isómeros SMILES: C1CN2CC(C[C@H]2CN1)(F)F.Cl.Cl
• CAS alternativo: 1305712-21-3
• PubChem CID: 50988389
• Peso molecular: 235.1

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: N-alkylpyrrolidines Trialkylamines Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: N-alkylpiperazine - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Secondary amine - Azacycle - Alkyl fluoride - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Alkyl halide - Hydrochloride - 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

• Peso molecular: 235.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 234.05 Da
• Monoisotopic Mass: 234.05 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 161.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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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