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Heptadecyltrimethylammonium bromide

CAT: 0013-GTR19244712-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244712-01Size:250 mg
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Description
Heptadecyltrimethylammonium bromide is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
21424-24-8
Smiles
[Br-].CCCCCCCCCCCCCCCCC[N+] (C) (C) C
Molecular Formula
C20H44BrN
Molecular Weight
378.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Heptadecyltrimethylammonium Bromide
CAS Number21424-24-8
PubChem CID10045219
IUPAC Nameheptadecyl(trimethyl)azanium bromide
Molecular FormulaC20H44BrN
Molecular Weight378.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity193
SMILES
CCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI
InChI=1S/C20H44N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKey
TTXDNWCDEIIMDP-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Heptadecyltrimethylammonium Bromide
CAS: 21424-24-8
CID: 10045219
Formula: C20H44BrN
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight378.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count16
Exact Mass377.26571
Monoisotopic Mass377.26571
Topological Polar Surface Area0 Ų
Heavy Atom Count22
Formal Charge0
Complexity193
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