3-Cloro-1-(N,N-dimetil)propilamina - ≥98% , CAS No.109-54-6

CAS: 109-54-6 Cat. No.: C353600 Peso molecular: 121.6 Beilstein Registry Number: 605294 Número EC: 203-679-3

GRADE & PURITY ≥98%

Synonyms

3-chloro-N,N-dimethyl propane-1-amine | FT-0631610 | 3-(dimethylamino)propyl chloride | EN300-54528 | MFCD00044496 | NCGC00091536-02 | 3-(N,N-dimethylamino)propyl chloride | 1-chloro-3-dimethylaminopropane | 1chloro-3-dimethylaminopropane | 3-(dimethyiami

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

Aplicación

Se utiliza en clorpromazina, dolor antiinflamatorio estática, propileno clomipramina trabajo, doxpin y amy para butilo intermedios.

Specifications

Sinónimos

3-chloro-N, N-dimethyl propane-1-amine | FT-0631610 | 3-(dimethylamino)propyl chloride | EN300-54528 | MFCD00044496 | NCGC00091536-02 | 3-(N, N-dimethylamino)propyl chloride | 1-chloro-3-dimethylaminopropane | 1chloro-3-dimethylaminopropane | 3-(dimethyiami

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CN(C)CCCCl
• IUPAC Name: 3-chloro-N,N-dimethylpropan-1-amine
• InChIKey: NYYRRBOMNHUCLB-UHFFFAOYSA-N
• INCHI: 1S/C5H12ClN/c1-7(2)5-3-4-6/h3-5H2,1-2H3
• Isómeros SMILES: CN(C)CCCCl
• Número ONU: 3263
• Grupo de embalaje: II
• Peso molecular: 121.6
• Beilstein: 605294
• Reaxy-Rn: 605294
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605294&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Air sensitive
• Índice de refracción: 1.4320
• Peso molecular: 121.610 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 121.066 Da
• Monoisotopic Mass: 121.066 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 37.100
• 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: 1

Referencias

1. Mengna Qin, Guibao Wu, Kai Zheng, Xiaofei Yu, Juan Xu, Jianyu Cao.  (2024)  A highly water-soluble phenoxazine quaternary ammonium compound catholyte for pH-neutral aqueous organic redox flow batteries.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2024.114162]