3-Chloropropylamine hydrochloride - ≥98% , CAS No.6276-54-6

CAS: 6276-54-6 Cat. No.: C102474 Molecular Weight: 130.02 Beilstein Registry Number: 3667451 EC Number: 228-474-6 PubChem CID: 11469095

GRADE & PURITY ≥98%

Synonyms

AKOS007930111 | 3-Chloropropylamine hydrochloride | 3-chloro-propylamine hydrochloride | BP-12400 | NSC35893 | NSC-35893 | 3-Chloropropan-1-amine--hydrogen chloride (1/1) | SY001694 | DTXSID00978417 | 3-Chloropropylammonium chloride | (3-chloropropyl)amin

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

3-Chloropropylamine hydrochloride was used in chemical treatment of carbon-enriched fly ash concentrates.It was used in the synthesis of linear, star and comb-like polyacrylamides by atomic transfer radical polymerization. It was used in the synthesis of halogen-functionalized aliphatic polyketones (macroinitiators).

Specifications

Synonyms

AKOS007930111 | 3-Chloropropylamine hydrochloride | 3-chloro-propylamine hydrochloride | BP-12400 | NSC35893 | NSC-35893 | 3-Chloropropan-1-amine--hydrogen chloride (1/1) | SY001694 | DTXSID00978417 | 3-Chloropropylammonium chloride | (3-chloropropyl)amin

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766458
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766458
• Canonical Smiles: C(CN)CCl.Cl
• IUPAC Name: 3-chloropropan-1-amine;hydrochloride
• InChIKey: IHPRVZKJZGXTBQ-UHFFFAOYSA-N
• INCHI: 1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H
• Isomeric SMILES: C(CN)CCl.Cl
• WGK Germany: 3
• PubChem CID: 11469095
• Molecular Weight: 130.02
• Beilstein: 3667451
• Reaxy-Rn: 3667451

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Quaternary ammonium salts
• Alternative Parents: Organochlorides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Alkyl chlorides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Quaternary ammonium salt - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl chloride - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as quaternary ammonium salts. These are compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl 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

Chemical and Physical Properties

• Solubility: Soluble in water; Soluble in Ethanol; Insoluble in Chloroform,Toluene
• Sensitivity: Hygroscopic
• Melt Point(°C): 145-150°C
• Molecular Weight: 130.009 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 129.011 Da
• Monoisotopic Mass: 129.011 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 16.400
• 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: 2

XLogP3

References

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