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Phosphocholine chloride disodium

CAT: 0013-GTR19246504-01Size: 1 gDry Ice: NoHazardous: No
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Description
Phosphocholine Chloride Sodium Salt is an organic compound comprising phosphate, choline, and chloride ions. It is commonly utilized in preparing cell membranes and liposomes for drug delivery systems. In the pharmaceutical industry, this compound has various applications, particularly as a stabilizer and surfactant. Moreover, it serves as an emulsifier and conditioning agent in the production of cosmetics and personal care products.
CAS Number
16904-96-4
Smiles
O=P ([O-]) (OCC[N+] (C) (C) C) [O-].[Na+].[Cl-].[Na+]
Molecular Formula
C5H13ClNNa2O4P
Molecular Weight
263.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Choline chloride O-(disodium phosphate)
CAS Number16904-96-4
PubChem CID85635
IUPAC Namedisodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
Molecular FormulaC5H13ClNNa2O4P
Molecular Weight263.57
Topological Polar Surface Area72.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity147
SMILES
C[N+](C)(C)CCOP(=O)([O-])[O-].[Na+].[Na+].[Cl-]
InChI
InChI=1S/C5H14NO4P.ClH.2Na/c1-6(2,3)4-5-10-11(7,8)9;;;/h4-5H2,1-3H3,(H-,7,8,9);1H;;/q;;2*+1/p-2
InChIKey
HMCRHROSIPYRGL-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Choline chloride O-(disodium phosphate)
CAS: 16904-96-4
CID: 85635
Formula: C5H13ClNNa2O4P
MW: 263.57
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.57
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass263.0066112
Monoisotopic Mass263.0066112
Topological Polar Surface Area72.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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