(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide - ≥97% , CAS No.125224-62-6

CAS: 125224-62-6 Cat. No.: S172972 Peso molecular: 274.00 Número EC: 411-000-9

GRADE & PURITY ≥97%

Synonyms

AM84445 | Z3235903377 | 1-t-butyloxycarbonyl-2-(S)-azetidinemethanol | 2,5-Diazabicyclo[2.2.1]heptane, 2-methyl-, hydrobromide (1:2), (1S,4S)- | (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide | (1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1] hept

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AM84445 | Z3235903377 | 1-t-butyloxycarbonyl-2-(S)-azetidinemethanol | 2, 5-Diazabicyclo[2.2.1]heptane, 2-methyl-, hydrobromide (1:2), (1S, 4S)- | (1S, 4S)-2-methyl-2, 5-diazabicyclo[2.2.1]heptane;dihydrobromide | (1S, 4S)-2-Methyl-2, 5-diazabicyclo[2.2.1] hept

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

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: CN1CC2CC1CN2.Br.Br
• IUPAC Name: (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide
• InChIKey: WLUAJCSMROZCDP-USPAICOZSA-N
• INCHI: 1S/C6H12N2.2BrH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H/t5-,6-;;/m0../s1
• Isómeros SMILES: CN1C[C@@H]2C[C@H]1CN2.Br.Br
• CAS alternativo: 59436-77-0
• Peso molecular: 274.00

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: N-alkylpyrrolidines Trialkylamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: N-methylpiperazine - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Amine - Aliphatic heteropolycyclic 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: 274.000 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 273.95 Da
• Monoisotopic Mass: 271.952 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

XLogP3