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Hexadecylpyridinium bromide

CAT: 0931-TSH-00435-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0931-TSH-00435-01Size:10 g
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CAS Number
140-72-7
Bioactivity
Hexadecylpyridinium bromide is a reagent used in biochemical reactions.
Smiles
[Br-].C=1C=C[N+](=CC1)CCCCCCCCCCCCCCCC
Molecular Formula
C21H38BrN
Molecular Weight
384.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cetylpyridinium Bromide

Cetylpyridinium bromide is a pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion. It has a role as a surfactant, an antiseptic drug and an EC 2.7.11.18 (myosin-light-chain kinase) inhibitor. It is a bromide salt and a pyridinium salt.

CAS Number140-72-7
PubChem CID8816
IUPAC Name1-hexadecylpyridin-1-ium bromide
Molecular FormulaC21H38BrN
Molecular Weight384.4
Topological Polar Surface Area3.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Heavy Atom Count23
Formal Charge0
Complexity208
SMILES
CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]
InChI
InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
InChIKey
DVBJBNKEBPCGSY-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Cetylpyridinium Bromide
CAS: 140-72-7
CID: 8816
Formula: C21H38BrN
MW: 384.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass383.21876
Monoisotopic Mass383.21876
Topological Polar Surface Area3.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity208
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
H036-25GHexadecylpyridinium bromide
HY-W011038-01Hexadecylpyridinium (bromide)
OR1044133-01Hexadecylpyridinium bromide hydrate
H9160-011-Hexadecylpyridinium bromide
TRC-N211251-10MGn-Hexadecylpyridinium-d5 Bromide
OR9585-01Hexadecylpyridinium chloride
07905-05Hexadecylpyridinium Chloride Monohydrate
sc-2901014-Carbamoyl-1-hexadecylpyridinium Chloride
29309654-500gHexadecyltrimethylammonium bromide (Cetyltrimethylammonium bromide)
CB0105Cetyldimethylethyl ammonium bromide (Ethylhexadecyldimethylammonium bromide)

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