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Lauroylcholine Chloride

CAT: 0572-TRC-L185000-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-L185000-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25234-60-0
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
[Cl-].CCCCCCCCCCCC(=O)OCC[N+](C)(C)C
Molecular Formula
C17 H36 N O2 . Cl
Molecular Weight
321.93
InChI
InChI=1S/C17H36NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1
Additionnal Information
IUPAC name: 2-dodecanoyloxyethyl(trimethyl)azanium;chloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Lauroyloxyethyltrimethylammonium chloride
CAS Number25234-60-0
PubChem CID91343
IUPAC Name2-dodecanoyloxyethyl(trimethyl)azanium chloride
Molecular FormulaC17H36ClNO2
Molecular Weight321.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count21
Formal Charge0
Complexity234
SMILES
CCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C17H36NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey
BBJUKVPDIPYNBS-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 2-Lauroyloxyethyltrimethylammonium chloride
CAS: 25234-60-0
CID: 91343
Formula: C17H36ClNO2
MW: 321.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight321.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass321.2434571
Monoisotopic Mass321.2434571
Topological Polar Surface Area26.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity234
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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