N-(2-Bromoethyl)-1,3-propanediamine dihydrobromide - ≥95% , CAS No.23545-42-8

CAS: 23545-42-8 Cat. No.: N168872 Peso molecular: 342.90 Número EC: 898-196-3

GRADE & PURITY ≥95%

Synonyms

N1-(2-BroMoethyl)propane-1,3-diaMine 2HBr | 3-(2-BroMoethylaMino)propylaMine dihydrobroMide | FT-0651266 | AC-701 | AM20090252 | DTXSID70538062 | N-1-(2-BROMO-ETHYL)-PROPANE-1,3-DIAMINE, DI-HYDROBROMIDE | AKOS015833694

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

N1-(2-BroMoethyl)propane-1, 3-diaMine 2HBr | 3-(2-BroMoethylaMino)propylaMine dihydrobroMide | FT-0651266 | AC-701 | AM20090252 | DTXSID70538062 | N-1-(2-BROMO-ETHYL)-PROPANE-1, 3-DIAMINE, DI-HYDROBROMIDE | AKOS015833694

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C(CN)CNCCBr.Br.Br
• IUPAC Name: N'-(2-bromoethyl)propane-1,3-diamine;dihydrobromide
• InChIKey: QJWQDMBGXNKPAS-UHFFFAOYSA-N
• INCHI: 1S/C5H13BrN2.2BrH/c6-2-5-8-4-1-3-7;;/h8H,1-5,7H2;2*1H
• Isómeros SMILES: C(CN)CNCCBr.Br.Br
• CAS alternativo: 55159-49-4
• Peso molecular: 342.90

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organobromides Monoalkylamines Hydrocarbon derivatives Hydrobromides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Hydrocarbon derivative - Hydrobromide - Primary amine - Organobromide - Organohalogen compound - Primary aliphatic amine - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• 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: 342.900 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 341.876 Da
• Monoisotopic Mass: 339.879 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 41.400
• 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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