3-(Dimethylamino)propyl Chloride Hydrochloride - ≥98%(T) , CAS No.5407-04-5

CAS: 5407-04-5 Cat. No.: D154697 Molecular Weight: 158.07 Beilstein Registry Number: 4148 EC Number: 226-467-2 PubChem CID: 94308

GRADE & PURITY ≥98%(T)

Synonyms

(3-chloropropyl)dimethylamine hydrochloride | (3-chloro-propyl)-dimethylamine hydrochloride | (3-chloro-propyl)-dimethyl-amine hydrochloride | (3chloro-propyl)-dimethyl-amine hydrochloride | 1-Chloro-3-(dimethylamino)propane hydrochloride | 3-Chloro-N',N'

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

(3-chloropropyl)dimethylamine hydrochloride | (3-chloro-propyl)-dimethylamine hydrochloride | (3-chloro-propyl)-dimethyl-amine hydrochloride | (3chloro-propyl)-dimethyl-amine hydrochloride | 1-Chloro-3-(dimethylamino)propane hydrochloride | 3-Chloro-N', N'

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: CN(C)CCCCl.Cl
• IUPAC Name: 3-chloro-N,N-dimethylpropan-1-amine;hydrochloride
• InChIKey: LJQNMDZRCXJETK-UHFFFAOYSA-N
• INCHI: 1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
• Isomeric SMILES: CN(C)CCCCl.Cl
• RTECS: UI0209950
• PubChem CID: 94308
• Molecular Weight: 158.07
• Beilstein: 4148
• Reaxy-Rn: 3670046

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 Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 138-144 °C
• Molecular Weight: 158.070 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 157.043 Da
• Monoisotopic Mass: 157.043 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 8
• 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: 2

XLogP3

References

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