基本情報
- CAS
10328-35-5- 標準SMILES
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1- InChIKey
CYDRXTMLKJDRQH-UHFFFAOYSA-N- 分子式
- C21H38N+
- 平均分子量
- 304.5 g/mol
- 単同位体質量
- 304.30042522
概要
Benzododecinium is a quaternary ammonium ion obtained by methylation of N-benzyl-N-methyldodecan-1-amine.
名称と識別子
- 優先名称
- Benzododecinium
- IUPAC
- benzyl-dodecyl-dimethylazanium
- 英語名
- Methanesulfonic acid
- 分子式
- CH4O3S
- 分子量
- 96.10566
名称と別名
BenzododeciniumAjatinBenzyldodecyldimethylammonium10328-35-5Benzododecinium ionDimethyllaurylbenzylammoniumLauryldimethylbenzylammoniumBenzododecinium cationBenzyldimethyldodecylammonium ionN-Dodecyl-N,N-dimethylbenzenemethanaminiumN0BN0O8CSLdimethyldodecylbenzylammonium
名称をさらに表示
NSC 9658benzyl-dodecyl-diMethyl-azaniuM(Benzyl)dimethyldodecylammonium methylsulfonate
N-Benzyl-N-dodecyl-N,N-dimethylammoniumCHEBI:135611benzyl dimethyl dodecyl ammoniumBENZYL(DODECYL)DIMETHYLAZANIUMRefChem:54496BZK-C12benzyl-dodecyl-dimethylazaniumn-benzyl-n,n-dimethyldodecan-1-aminium
データベース識別子
- CAS
10328-35-5、5423-15-4、5459-84-7- PubChem CID
- 8754
- DTXSID
DTXSID60872947- ChEMBL
CHEMBL1907001- ChEBI
CHEBI:135611- UNII
- N0BN0O8CSL
- Nikkaji
- J9.814K
物性
構造計算による物性
- XLogP
- 7.4
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 13
- 重原子数
- 22
- 形式電荷
- 1
- 複雑度
- 240
実験および物理化学的性質
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
193.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2040787]
193 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
化学と産業
薬理情報
ATC Code
D - Dermatologicals
QD - Dermatologicals
MeSH Pharmacological Classification
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.
Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed)
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