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Octadecyltrimethylammonium bromide

CAT: 0063-26205973-100gSize: 100 gDry Ice: NoHazardous: No
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CAT#:0063-26205973-100gSize:100 g
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CAS Number
1120-02-1
Molecular Formula
CH3 (CH2) 17N (Br) (CH3) 3
Molecular Weight
392.5
Formulation
CH3 (CH2) 17N (Br) (CH3) 3

Chemical Information

Octadecyltrimethylammonium bromide

The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Steartrimonium Bromide...

CAS Number1120-02-1
PubChem CID70708
IUPAC Nametrimethyl(octadecyl)azanium bromide
Molecular FormulaC21H46BrN
Molecular Weight392.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count17
Heavy Atom Count23
Formal Charge0
Complexity204
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI
InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
InChIKey
SZEMGTQCPRNXEG-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Octadecyltrimethylammonium bromide
CAS: 1120-02-1
CID: 70708
Formula: C21H46BrN
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight392.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count17
Exact Mass391.28136
Monoisotopic Mass391.28136
Topological Polar Surface Area0 Ų
Heavy Atom Count23
Formal Charge0
Complexity204
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