Benzododecinium
Grundinformationen
- CAS
10328-35-5- Standard-SMILES
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1- InChIKey
CYDRXTMLKJDRQH-UHFFFAOYSA-N- Summenformel
- C21H38N+
- Durchschnittliche Molmasse
- 304,5 g/mol
- Monoisotopische Masse
- 304,30042522
Überblick
Benzododecinium is a quaternary ammonium ion obtained by methylation of N-benzyl-N-methyldodecan-1-amine.
Namen und Bezeichner
- Bevorzugter Name
- Benzododecinium
- IUPAC
- benzyl-dodecyl-dimethylazanium
- Englischer Name
- Methanesulfonic acid
- Summenformel
- CH4O3S
- Molmasse
- 96.10566
Namen und Synonyme
BenzododeciniumAjatinBenzyldodecyldimethylammonium10328-35-5Benzododecinium ionDimethyllaurylbenzylammoniumLauryldimethylbenzylammoniumBenzododecinium cationBenzyldimethyldodecylammonium ionN-Dodecyl-N,N-dimethylbenzenemethanaminiumN0BN0O8CSLdimethyldodecylbenzylammonium
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
10328-35-5、5423-15-4、5459-84-7- PubChem CID
- 8754
- DTXSID
DTXSID60872947- ChEMBL
CHEMBL1907001- ChEBI
CHEBI:135611
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 22
- Formalladung
- 1
- Komplexität
- 240
Experimentelle und physikochemische Eigenschaften
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]
Chemie und Industrie
Pharmakologische Informationen
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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