CETYLBENZYLDIMETHYLAMMONIUM BROMIDE

CAT: 1266-JH915462Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH915462Size:1 Each

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CAS Number

3529-04-2

Molecular Formula

C25H46BrN

Molecular Weight

440.54

Chemical Information

Cetalkonium bromide

CAS Number	3529-04-2
PubChem CID	165133
IUPAC Name	benzyl-hexadecyl-dimethylazanium bromide
Molecular Formula	C25H46BrN
Molecular Weight	440.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	17
Heavy Atom Count	27
Formal Charge	0
Complexity	291

SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C25H46N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1

InChIKey

DLNWMWYCSOQYSQ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 3529-04-2

CID: 165133

Formula: C25H46BrN

MW: 440.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	440.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	17
Exact Mass	439.28136
Monoisotopic Mass	439.28136
Topological Polar Surface Area	0 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	291
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
JH475325	Zinc bromide
JH62166	Dodecyltrimethylammonium bromide
JH580563	ISOBUTYLMAGNESIUM BROMIDE
JH374876	GERANYL BROMIDE
JH119425	ISOPROPENYLMAGNESIUM BROMIDE
JH478840	Rubidium bromide
JH916783	Oleylammonium Bromide
JH660543	Tetraoctylphosphanium, bromide
JH314991	Thionyl bromide
JH702938	Hexadecyltrimethylammonium bromide

Catalog	Name
29309654-500g	Hexadecyltrimethylammonium bromide (Cetyltrimethylammonium bromide)
CB0105	Cetyldimethylethyl ammonium bromide (Ethylhexadecyldimethylammonium bromide)
AR-I03852-01	Ipratropium Bromide Impurity 11 Bromide
AR-R11297-01	Rocuronium Bromide Impurity 7 Bromide
AR-U01225-01	Umeclidinium Bromide Impurity 6 Bromide
O5553-02	Octylonium Bromide (Spasmonen. Otilonium Bromide)
AR-I03850-01	Ipratropium Bromide Impurity 6 Bromide
AR-U01227-01	Umeclidinium Bromide Impurity 12 Bromide
AR-P31696-01	Pinaverium Bromide Impurity 7 Bromide
AR-I03860-01	Ipratropium Bromide Impurity 1 Bromide