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Chemical structure of Choline-d13 chloride

GC71691

Choline-d13 chloride

Also known as (1,1,2,2-tetradeuterio-2-hydroxyethyl)-tris(trideuteriomethyl)azanium chloride

Choline-d13 (chloride) is the deuterium labeled Choline chloride

ChemicalCAS352438-97-2MW152.7FormulaC5HD13ClNO
CAS number
352438-97-2
Molecular weight
152.7
Formula
C5HD13ClNO
Solubility
DMSO ： 140 mg/mL (916·83 mM; Need ultrasonic and warming; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
SGMZJAMFUVOLNK-TYBPHYHNSA-M
Catalogue number
GC71691
Brand
GLPBIO
Computed properties PubChem CID 90472201 · TPSA 20.2 Ų · H-bond donors 1 · H-bond acceptors 2
TPSA
20.2 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
8

SMILES [2H]C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])O.[Cl-]

Computed descriptors from PubChem (CID 90472201), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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