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Stearoylcholine Chloride

CAT: 0572-TRC-S686538-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S686538-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25234-57-5
Synonyms
N,N,N-Trimethyl-2-[(1-oxooctadecyl)oxy]ethanaminium Chloride; Stearic Acid Ester with Choline Chloride;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
C[N+](C)(C)CCOC(CCCCCCCCCCCCCCCCC)=O.[Cl-]
Molecular Formula
C23H48ClNO2
Molecular Weight
406.09
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Trimethyl(2-(stearoyloxy)ethyl)ammonium chloride
CAS Number25234-57-5
PubChem CID3015211
IUPAC Nametrimethyl(2-octadecanoyloxyethyl)azanium chloride
Molecular FormulaC23H48ClNO2
Molecular Weight406.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count20
Heavy Atom Count27
Formal Charge0
Complexity310
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C23H48NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)26-22-21-24(2,3)4;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKey
HHADJUZGKVNYLU-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Trimethyl(2-(stearoyloxy)ethyl)ammonium chloride
CAS: 25234-57-5
CID: 3015211
Formula: C23H48ClNO2
MW: 406.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight406.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count20
Exact Mass405.3373575
Monoisotopic Mass405.3373575
Topological Polar Surface Area26.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity310
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