3-Chloro-1-(N,N-dimethyl)propylamine - ≥98% , CAS No.109-54-6

CAS: 109-54-6 Cat. No.: C353600 Molecular Weight: 121.6 Beilstein Registry Number: 605294 EC Number: 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

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Application

It is used in chlorpromazine, anti-inflammatory pain static, propylene clomipramine work, doxpin and amy for butyl intermediates.

Specifications

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

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CN(C)CCCCl
• UN Number: 3263
• Packing Group: II
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Sensitivity: Air sensitive
• Refractive Index: 1.4320
• Molecular Weight: 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

References

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]