2-Methylcholine

Base Information

• Chemical Name: 2-Methylcholine
• CAS No.: 7562-87-0
• Molecular Formula: C6H16NO⁺
• Molecular Weight: 118.20
• European Community (EC) Number: 231-457-6
• UNII: 842Q90137O
• DSSTox Substance ID: DTXSID90864092
• Nikkaji Number: J253.913F
• Wikidata: Q27102192
• Metabolomics Workbench ID: 50753
• ChEMBL ID: CHEMBL107582
• Mol file: 7562-87-0.mol

Synonyms:beta-methylcholine;beta-methylcholine chloride;beta-methylcholine iodide, (R)-isomer;beta-methylcholine iodide, (S)-isomer;beta-methylcholine, (+-)-isomer;beta-methylcholine, (R)-isomer;beta-methylcholine, (S)-isomer;beta-methylcholine, acetate salt;beta-methylcholine, cyanoacetic acid, (1:1) salt;beta-methylcholine, formate salt;hydroxide(+-)-isomer of beta-methylcholine

Chemical Property of 2-Methylcholine

Chemical Property:

• Melting Point: 165-167 °C
• PSA: 20.23000
• LogP: 0.07340
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 118.123189134
• Heavy Atom Count: 8
• Complexity: 65.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C[N+](C)(C)C)O