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化合物简介
Cetalkonium chloride (CKC) is a quaternary ammonium compound of the alkyl-benzyldimethylammonium chlorides family, the alkyl group having a chain length of C16 (16 carbons). It is used in pharmaceutical products either as an excipient (Cationorm®, Retaine MGD®) or as an active ingredient (Bonjela®, Pansoral®). It may be found in very small amount in the excipient benzalkonium chloride mixture (typically less than 5% of the total mixture).
基本信息
CAS:122-18-9
中文别名:N-十六烷基-N,N-二甲基苄基氯化铵;苄基十六烷基二甲基氯化铵;西他氯铵;苄基十六烷基二甲基氯化铵水合物;二甲基苄基十六烷基氯化铵;十六烷基苄基二甲基氯化铵;苄基二甲基十六烷基氯化铵;
英文别名:acinol;Cetalkonium chloride;dmcbac;benzyl-dimethyl-hexadecyl-ammonium chloride;HDBAC;benzylhexadecyldimethylammonium chloride;Benzylcetyldimethylammonium Chloride Hydrate;bonjela;N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride;Benzyldimethylhexadecylammonium Chloride Hydrate;hexadecyldimethylbenzylammonium chloride;Cetyldimethylbenzylammonium;Benzylhexadecyldimethylammonium chloride;banicol;dimethylbenzylhexadecylammonium chloride;CKC;cetylon;Benzylhexadecyldimethylammonium Chloride Hydrate;N-hexadecyl-N,N-dimethyl-N-benzylammonium chloride;cdbac;benzyl-dimethyl-cetylammonium chloride;win357;spilan;16-BAC,Benzylhexadecyldimet;
分子式:C25H46ClN
分子量:396.092
精确质量:395.332
Psa:0.0
Logp:4.7483
中文别名:N-十六烷基-N,N-二甲基苄基氯化铵;苄基十六烷基二甲基氯化铵;西他氯铵;苄基十六烷基二甲基氯化铵水合物;二甲基苄基十六烷基氯化铵;十六烷基苄基二甲基氯化铵;苄基二甲基十六烷基氯化铵;
英文别名:acinol;Cetalkonium chloride;dmcbac;benzyl-dimethyl-hexadecyl-ammonium chloride;HDBAC;benzylhexadecyldimethylammonium chloride;Benzylcetyldimethylammonium Chloride Hydrate;bonjela;N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride;Benzyldimethylhexadecylammonium Chloride Hydrate;hexadecyldimethylbenzylammonium chloride;Cetyldimethylbenzylammonium;Benzylhexadecyldimethylammonium chloride;banicol;dimethylbenzylhexadecylammonium chloride;CKC;cetylon;Benzylhexadecyldimethylammonium Chloride Hydrate;N-hexadecyl-N,N-dimethyl-N-benzylammonium chloride;cdbac;benzyl-dimethyl-cetylammonium chloride;win357;spilan;16-BAC,Benzylhexadecyldimet;
分子式:C25H46ClN
分子量:396.092
精确质量:395.332
Psa:0.0
Logp:4.7483
编号系统
BRN号:3802341
MDL号:MFCD00011625
PubChem号:24891752
EINECS号:204-526-3
RTECS号:BO6822450
MDL号:MFCD00011625
PubChem号:24891752
EINECS号:204-526-3
RTECS号:BO6822450
物化性质
外观与性状:白色至奶油色-白色结晶粉末
熔点:55-65°C(lit.)
水溶解性:MODERATELY SOLUBLE
储存条件:通风低温干燥
熔点:55-65°C(lit.)
水溶解性:MODERATELY SOLUBLE
储存条件:通风低温干燥
安全信息
RTECS号:BO6822450
安全说明:S61-S45-S36/37/39-S26
危险类别码:R21/22; R34; R50
WGK Germany:3
海关编码:2923900090
危险品运输编码:UN 3077 9/PG 3
危险品标志:C; N
危险性描述:H302 + H312; H314; H400
危险性防范说明:P273; P280; P305 + P351 + P338; P310
信号词:Danger
危险标志:GHS05, GHS07, GHS09
安全说明:S61-S45-S36/37/39-S26
危险类别码:R21/22; R34; R50
WGK Germany:3
海关编码:2923900090
危险品运输编码:UN 3077 9/PG 3
危险品标志:C; N
危险性描述:H302 + H312; H314; H400
危险性防范说明:P273; P280; P305 + P351 + P338; P310
信号词:Danger
危险标志:GHS05, GHS07, GHS09
生产方法及用途
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

1H NMR : 400 MHz in CDCl3

IR : KBr disc

IR : nujol mull
