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Lauralkonium chloride

CAT: 0013-GTR19223397-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223397-01Size:25 mg
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Description
Lauralkonium chloride is a bioactive small molecule compound utilized in biochemical research. It serves as a tool compound for in vitro studies of membrane interactions and antimicrobial mechanisms, with applications in microbiology and biophysical chemistry research.
CAS Number
19486-61-4
Smiles
[Cl-].O=C (C1=CC=C (OCC[N+] (C) (C) CC=2C=CC=CC2) C=C1) CCCCCCCCCCC
Molecular Formula
C29H44ClNO2
Molecular Weight
474.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lauralkonium Chloride
CAS Number19486-61-4
PubChem CID3038487
IUPAC Namebenzyl-[2-(4-dodecanoylphenoxy)ethyl]-dimethylazanium chloride
Molecular FormulaC29H44ClNO2
Molecular Weight474.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count33
Formal Charge0
Complexity476
SMILES
CCCCCCCCCCCC(=O)C1=CC=C(C=C1)OCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
InChI
InChI=1S/C29H44NO2.ClH/c1-4-5-6-7-8-9-10-11-15-18-29(31)27-19-21-28(22-20-27)32-24-23-30(2,3)25-26-16-13-12-14-17-26;/h12-14,16-17,19-22H,4-11,15,18,23-25H2,1-3H3;1H/q+1;/p-1
InChIKey
IBNQLYMPUGQNLN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Lauralkonium Chloride
CAS: 19486-61-4
CID: 3038487
Formula: C29H44ClNO2
MW: 474.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight474.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass473.3060573
Monoisotopic Mass473.3060573
Topological Polar Surface Area26.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity476
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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