氯化十六烷基吡啶

Description

Cetylpyridinium Chloride · CAS 123-03-5 · C21H38N+. UNII CUB7JI0JV3.

Identification

CAS Registry Number	123-03-5
PubChem CID	2683
Molecular formula	C21H38N+
IUPAC name	1-hexadecylpyridin-1-ium
UNII (FDA)	CUB7JI0JV3

Computed Descriptors

Molecular Weight	304.5
XLogP3	8.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	15
Exact Mass	304.300425216
Monoisotopic Mass	304.300425216
Topological Polar Surface Area	3.9
Heavy Atom Count	22
Formal Charge	1

Physical description & handling notes

• 193.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3033307]
• 193.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6041761]
• 193.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6041761]
• 194.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3033307]
• 195.66 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Documented Uses

• Use (kg; approx.) in Germany (2009): >100
• Consumption (g per capita; approx.) in Germany (2009): 0.00122
• Typically employed as the cetylpyridinium chloride salt, this compound is commonly used as an active ingredient in various over-the-counter mouthwashes, toothpastes, lozenges, and mouth sprays where it is generally indicated for antiseptic actions, gingivitis and plaque prevention, as well as action or prevention against some other oropharyngeal bacterial infections.
• Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
• Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
• D08 - Antiseptics and disinfectants

Synonyms

CETYLPYRIDINIUM; 1-hexadecylpyridin-1-ium; 7773-52-6; 1-hexadecylpyridinium; Cetylpyridinum; Hexadecylpyridinium; N-Hexadecylpyridinium; CUB7JI0JV3; Pyridinium, 1-hexadecyl-; CHEBI:32914; Cetylpyridium; RefChem:54759; MLS002695907; 1-cetylpyridinium; SMR001398783; UNII-CUB7JI0JV3

Frequently Asked Questions

What are the CAS number and molecular formula of Cetylpyridinium Chloride?

CAS 123-03-5; molecular formula C21H38N+; molecular weight — g/mol.

What other names is Cetylpyridinium Chloride known by?

CETYLPYRIDINIUM, 1-hexadecylpyridin-1-ium, 7773-52-6, 1-hexadecylpyridinium, Cetylpyridinum, Hexadecylpyridinium.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.