1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate

Basic Information

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CAS Number

404001-62-3

Molecular Formula

C20H41ClN2O

Molecular Weight

361.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.O.[Cl-]

InChI

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

InChIKey

YCRGEJFZTMXLMF-UHFFFAOYSA-M

LogP

2.73360

Complexity

230

Synonyms & References

English

1-Hexadecyl-3-methylimidazolium chloride monohydrate
1-Hexadecyl-3-methyl-1H-imidazolium chloride hydrate
F71331
SCHEMBL25414881
1-hexadecyl-3-methylimidazol-3-ium;chloride;hydrate
BS-50665
1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate
1-Hexadecyl-3-methylimidazoliumchloridemonohydrate
1-Hexadecyl-3-Methylimidazolium Chloride Monohydrate
404001-62-3
3-hexadecyl-1-methylimidazol-1-ium hydrate chloride
1-Hexadecyl-3-methyl-1H-imidazol-3-iumchloridehydrate
DTXSID90109990

MDL Number

MFCD03427608

Customs Code

2933290090

FAQ

What is 1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate (CAS: 404001-62-3)?

1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate is a chemical compound with the CAS number 404001-62-3. It is a white crystalline solid with a distinctive odor. The compound consists of a hexadecyl group attached to a 3-methyl-1H-imidazol-3-ium cation and chloride anion, forming a hydrate structure.

What are the main uses of 1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate (CAS: 404001-62-3)?

1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate is primarily used in the pharmaceutical industry as a surfactant and emulsifier. It is also utilized in the cosmetic industry for its emollient and stabilizing properties. Additionally, it can be used in research applications for studying surfactant behavior and as a model compound.

Is 1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate (CAS: 404001-62-3) safe?

1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate is generally considered safe when handled with proper precautions. However, it should be stored away from direct sunlight and heat sources to prevent degradation. It is important to use appropriate personal protective equipment (PPE) such as gloves and goggles during handling.

How should 1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate (CAS: 404001-62-3) be stored?

1-Hexadecyl-3-methyl-1H-imidazol-3-ium chloride hydrate should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to store the compound in a tightly sealed container to prevent moisture absorption. The storage temperature should be below 30°C to maintain stability and prevent degradation.