Cas no 404001-62-3 (1-Hexadecyl-3-methylimidazolium chloride monohydrate)

1-Hexadecyl-3-methylimidazolium chloride monohydrate is an ionic liquid belonging to the imidazolium class, characterized by its long hydrophobic alkyl chain (C16) and chloride counterion. This compound exhibits high thermal stability, low volatility, and good solubility in both polar and nonpolar solvents, making it useful as a phase-transfer catalyst, surfactant, or solvent in organic synthesis and material science. Its amphiphilic nature allows for applications in micelle formation and colloidal stabilization. The monohydrate form ensures consistent hydration, enhancing reproducibility in experimental conditions. The compound is particularly valued for its tunable physicochemical properties and compatibility with green chemistry principles due to its negligible vapor pressure.
1-Hexadecyl-3-methylimidazolium chloride monohydrate structure
404001-62-3 structure
Product Name:1-Hexadecyl-3-methylimidazolium chloride monohydrate
CAS No:404001-62-3
MF:C20H41ClN2O
MW:361.005345106125
CID:925746
PubChem ID:60160661
Update Time:2025-06-07

1-Hexadecyl-3-methylimidazolium chloride monohydrate Chemical and Physical Properties

Names and Identifiers

    • 1-Hexadecyl-3-methylimidazolium chloride monohydrate
    • 1-Hexadecyl-3-methyl-1H-imidazol-3-iumchloridehydrate
    • 1-Hexadecyl-3-methyl-1H-imidazolium chloride hydrate
    • DTXSID90109990
    • 1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate
    • F71331
    • 404001-62-3
    • 3-hexadecyl-1-methylimidazol-1-ium hydrate chloride
    • 1-Hexadecyl-3-methylimidazoliumchloridemonohydrate
    • SCHEMBL25414881
    • BS-50665
    • 1-hexadecyl-3-methylimidazol-3-ium;chloride;hydrate
    • Inchi： 1S/C20H39N2.ClH.H2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;;/h18-20H,3-17H2,1-2H3;1H;1H2/q+1;;/p-1
    • InChI Key： YCRGEJFZTMXLMF-UHFFFAOYSA-M
    • SMILES： [Cl-].O.N1(C=C[N+](C)=C1)CCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 360.29100
  • Monoisotopic Mass: 360.2907416g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 15
  • Complexity: 230
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 9.8?2

Experimental Properties

  • Color/Form: liquid
  • PSA: 18.04000
  • LogP: 2.73360
  • Solubility: Not available

1-Hexadecyl-3-methylimidazolium chloride monohydrate Security Information

1-Hexadecyl-3-methylimidazolium chloride monohydrate Customs Data

  • HS CODE：2933290090
  • Customs Data：

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-Hexadecyl-3-methylimidazolium chloride monohydrate Pricemore >>

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1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate
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1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate
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1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate
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eNovation Chemicals LLC
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