Methyl-D9-choline chloride

Base Information

• Chemical Name: Methyl-D9-choline chloride
• CAS No.: 61037-86-3
• Molecular Formula: C5H5ClD9NO
• Molecular Weight: 148.68
• European Community (EC) Number: 685-786-9
• UNII: 2Z4659NSZ3
• DSSTox Substance ID: DTXSID90584026
• Mol file: 61037-86-3.mol

Synonyms:61037-86-3;Methyl-D9-choline chloride;Choline-d9 Chloride;Choline-d9 (chloride);Choline-2H9 chloride;Choline chloride-(trimethyl-d9);Choline-tri(methyl-d3), chloride;CHOLINE CHLORIDE (TRIMETHYL-D9);Choline-d9 Chloride (N,N,N-trimethyl-d9);2Z4659NSZ3;2-hydroxyethyl-tris(trideuteriomethyl)azanium;chloride;UNII-2Z4659NSZ3;Choline chloride-trimethyl-d9;Choline chloride(trimethyl-d9);DTXSID90584026;HY-B1337S1;MS-22841;CS-0203161;(2-hydroxyethyl)tri(?H?)methylazanium chloride;D98485;Choline chloride-(trimethyl-d9), 98 atom % D;2-Hydroxy-N,N,N-tris[(~2~H_3_)methyl]ethan-1-aminium chloride;ETHANAMINIUM, 2-HYDROXY-N,N,N-TRI(METHYL-D3)-, CHLORIDE (1:1)

Chemical Property of Methyl-D9-choline chloride

Chemical Property:

• Melting Point: 302-305 °C (dec.)(lit.)
• PSA: 20.23000
• LogP: -3.31110
• Storage Temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 148.1328825
• Heavy Atom Count: 8
• Complexity: 46.5

Purity/Quality:

99% ^*data from raw suppliers

Choline-d9 Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• 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.[Cl-]
• Isomeric SMILES: [2H]C([2H])([2H])[N+](CCO)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-]
• Uses: Labelled Choline. Lipotropic.