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Palmitoylcholine Chloride

CAT: 0572-TRC-P163670-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P163670-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2932-74-3
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[Cl].CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
Molecular Formula
C21 H44 N O2 . Cl
Molecular Weight
378.033
InChI
InChI=1S/C21H44NO2.Cl/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20-19-22(2,3)4;/h5-20H2,1-4H3;/q+1;
Additionnal Information
IUPAC name: chlorine;2-hexadecanoyloxyethyl(trimethyl)azanium
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Palmitoylcholine chloride
CAS Number2932-74-3
PubChem CID22155835
IUPAC Name2-hexadecanoyloxyethyl(trimethyl)azanium chloride
Molecular FormulaC21H44ClNO2
Molecular Weight378.0
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Heavy Atom Count25
Formal Charge0
Complexity284
SMILES
CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C21H44NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20-19-22(2,3)4;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKey
SABHLWJWDCWCRQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Palmitoylcholine chloride
CAS: 2932-74-3
CID: 22155835
Formula: C21H44ClNO2
MW: 378.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Exact Mass377.3060573
Monoisotopic Mass377.3060573
Topological Polar Surface Area26.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity284
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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