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Zephirol

CAT: 0572-TRC-Z343000-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Z343000-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
139-07-1
Synonyms
Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride (1:1); Ammonium, benzyldodecyldimethyl-, chloride (8CI); Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride (9CI); Benzyldodecyldimethylammonium chloride (6CI); Accelerator 1227; BAC 12; Bas 2631; Benzododecinium chloride; Benzyldimethyldodecylammonium chloride; Benzyldimethyllaurylammonium chloride; Benzyllauryldimethylammonium chloride; Catigene OM; Catinal CB 50; Catiogen BC 50; Catiogen PAN; Catiolite BC 50; Cationic 1227; Cequartyl A; Croda N-Dodecyl; DYK 1125; Dehyquart LDB; Dimethylaurylbenzylammonium chloride; Dimethylbenzyldodecylammonium chloride; Dimethylbenzyllaurylammonium chloride; Dimethyldodecylbenzylammonium chloride; Dimethyllaurylbenzylammonium chloride; Dodecylbenzyldimethylammonium chloride; Dodecyldimethylbenzylammonium chloride; Germicide 1227; Katamin AB 18; Lauralkonium chloride; Lauryl benzalkonium chloride; Laurylbenzyldimethylammonium chloride; Lauryldimethylbenzylammonium chloride; Leveling Agent 1227; Loraquat B 50; N-Benzyl-N-dodecyl-N,N-dimethylammonium chloride; N-Dodecyl-N,N-dimethyl-N-benzylammonium chloride; N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride; N-Lauryl-N,N-dimethyl-N-benzylammonium chloride; Noramium DA 50; Orthosan HM; Pionin B 231; QBA 1211; Retarder N; Rewoquat B 50; Rolcril; Surfactant 1227; Swanol CA 100; Swanol CA 101; Tetranil BC 80; Texnol R 5; Vantoc CL; Zephirol
Hazard Statement
Harmful if swallowed; UN number: UN1759; Packing Group: II
Purity
>95% (HPLC)
Smiles
[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
Molecular Formula
C21 H38 N . Cl
Molecular Weight
339.99
InChI
InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
Additionnal Information
IUPAC name: benzyl-dodecyl-dimethylazanium;chloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Benzododecinium Chloride

Benzododecinium chloride is the organic chloride salt of benzododecinium. It has antiseptic and disinfectant properties, and used as a preservative in eye drop formulations. It has a role as a surfactant, an antiseptic drug, a disinfectant and an antifouling biocide. It is a quaternary ammonium salt and an organic chloride salt. It contains a benzododecinium.

CAS Number139-07-1
PubChem CID8753
IUPAC Namebenzyl-dodecyl-dimethylazanium chloride
Molecular FormulaC21H38ClN
Molecular Weight340.0
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Heavy Atom Count23
Formal Charge0
Complexity240
SMILES
CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
InChI
InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
InChIKey
JBIROUFYLSSYDX-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Benzododecinium Chloride
CAS: 139-07-1
CID: 8753
Formula: C21H38ClN
MW: 340.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Exact Mass339.2692779
Monoisotopic Mass339.2692779
Topological Polar Surface Area0 Ų
Heavy Atom Count23
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FZ28757-01Zephirol
AR-Z01327-01Zephirol-d7
AR-Z01323-01Zephirol-d11
RM-Z160802-01Zephirol Impurity 2
AR-Z01319-01Zephirol Impurity 1
AR-Z01055-01Zephirol Related Compound 5
AR-Z01321-01Zephirol Impurity 7 Bromide
RM-Z160801-01Zephirol Related Compound 1
AR-Z01053-01Zephirol Related Compound 4
AR-Z01326-01Zephirol Impurity 3 Chloride

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