Basic information
- CAS
10328-35-5- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1- InChIKey
CYDRXTMLKJDRQH-UHFFFAOYSA-N- Molecular formula
- C21H38N+
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.30042522
Overview
Benzododecinium is a quaternary ammonium ion obtained by methylation of N-benzyl-N-methyldodecan-1-amine.
Names & identifiers
- Preferred name
- Benzododecinium
- IUPAC
- benzyl-dodecyl-dimethylazanium
- English name
- Methanesulfonic acid
- Molecular formula
- CH4O3S
- Molecular weight
- 96.10566
Names & synonyms
BenzododeciniumAjatinBenzyldodecyldimethylammonium10328-35-5Benzododecinium ionDimethyllaurylbenzylammoniumLauryldimethylbenzylammoniumBenzododecinium cationBenzyldimethyldodecylammonium ionN-Dodecyl-N,N-dimethylbenzenemethanaminiumN0BN0O8CSLdimethyldodecylbenzylammonium
Show more names
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
Database identifiers
- CAS
10328-35-5、5423-15-4、5459-84-7- PubChem CID
- 8754
- DTXSID
DTXSID60872947- ChEMBL
CHEMBL1907001- ChEBI
CHEBI:135611
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 240
Experimental & physicochemical properties
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]
Chemistry & industry
Pharmacology
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)
Suppliers1 total
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: Benzododecinium is a quaternary ammonium ion obtained by methylation of N-benzyl-N-methyldodecan-1-amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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