Choline-1,1,2,2-d4 bromide

Base Information

• Chemical Name: Choline-1,1,2,2-d4 bromide
• CAS No.: 285979-69-3
• Molecular Formula: C5H10 D4 N O . Br
• Molecular Weight: 188.1
• European Community (EC) Number: 693-581-0
• DSSTox Substance ID: DTXSID50584461
• Mol file: 285979-69-3.mol

Synonyms:Choline-1,1,2,2-d4 bromide;285979-69-3;Choline-1,1,2,2-d4 (bromide);Ethan-1,1,2,2-d4-aminium, 2-hydroxy-N,N,N-trimethyl-, bromide (9CI);trimethyl-(1,1,2,2-tetradeuterio-2-hydroxyethyl)azanium;bromide;SCHEMBL1330581;DTXSID50584461;HY-W127656S;AKOS025295057;CS-0226265;Choline-1,1,2,2-d4 bromide, 98 atom % D;D98018;A935311;J-017143;[2-hydroxy(1,1,2,2-?H?)ethyl]trimethylazanium bromide;2-Hydroxy-N,N,N-trimethyl(~2~H_4_)ethan-1-aminium bromide;2-Hydroxy-N,N,N-trimethylethan-1-aminium-1,1,2,2-d4 bromide

Chemical Property of Choline-1,1,2,2-d4 bromide

Chemical Property:

• PSA: 20.23000
• LogP: -3.31110
• Storage Temp.: Hygroscopic, Refrigerator, Under inert atmosphere
• Solubility.: DMF (Slightly, Heated), Water (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.05098
• Heavy Atom Count: 8
• Complexity: 46.5

Purity/Quality:

99% ^*data from raw suppliers

Choline-1,1,2,2-d4 bromide 98 atom % D ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCO.[Br-]
• Isomeric SMILES: [2H]C([2H])(C([2H])([2H])O)[N+](C)(C)C.[Br-]
• Uses: Choline-1,1,2,2-d4 Bromide (CAS# 285979-69-3) is a useful isotopically labeled research compound.