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(1-Hexadecyl) trimethylammonium bromide

CAT: 0862-GD0341-500gSize: 500 gDry Ice: NoHazardous: Yes
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CAT#:0862-GD0341-500gSize:500 g
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CAS Number
57-09-0
EC Number
200-311-3
UN Code
3077
MDL Number
MFCD00011772
HS Code
29239000
Purity
99.00%
Molecular Formula
CH3 (CH2) 15N (CH3) 3Br
Molecular Weight
364.46
Storage Conditions
+20°C
Hazardous Class
True

Chemical Information

Hexadecyltrimethylammonium Bromide

Cetyltrimethylammonium bromide is the organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide. It has a role as a detergent and a surfactant. It is a quaternary ammonium salt and an organic bromide salt. It contains a cetyltrimethylammonium ion.

CAS Number57-09-0
PubChem CID5974
IUPAC Namehexadecyl(trimethyl)azanium bromide
Molecular FormulaC19H42BrN
Molecular Weight364.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Heavy Atom Count21
Formal Charge0
Complexity181
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI
InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChIKey
LZZYPRNAOMGNLH-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Hexadecyltrimethylammonium Bromide
CAS: 57-09-0
CID: 5974
Formula: C19H42BrN
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass363.25006
Monoisotopic Mass363.25006
Topological Polar Surface Area0 Ų
Heavy Atom Count21
Formal Charge0
Complexity181
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

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Alternative Products

CatalogName
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263146-011-Bromo-7- (trimethylammonium) heptyl bromide
2631371-Bromo-6- (trimethylammonium) hexyl bromide
MBS6096164-01[1-(Trimethylammonium)methyl] Methanethiosulfonate Bromide (MTSMT)
MBS6057162-011-Bromo-6-(trimethylammonium)hexyl Bromide
MBS6058748-011-Bromo-7-(trimethylammonium)heptyl Bromide
T8488-18[1- (Trimethylammonium) methyl] Methanethiosulfonate Bromide (MTSMT)
217421Hexamethonium Bromide (Hexane-1,6-bis (Trimethylammonium bromide), Nicotinic Acetylcholine Receptors (nAChRs) Antagonist, Hexamethonium Bromide)
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