Hemicholinium

Base Information

• Chemical Name: Hemicholinium
• CAS No.: 16478-59-4
• Molecular Formula: C24H34 N2 O4
• Molecular Weight: 414.60
• UNII: ZK7JX4771P
• DSSTox Substance ID: DTXSID40936990
• Nikkaji Number: J245.602H
• ChEMBL ID: CHEMBL268697
• Mol file: 16478-59-4.mol

Synonyms:Hemicholinium;Hemicholinium 3

Chemical Property of Hemicholinium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 58.92000
• Density: g/cm³
• LogP: 1.77460
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 414.25185757
• Heavy Atom Count: 30
• Complexity: 544

Purity/Quality:

99% ^*data from raw suppliers

HEMICHOLINIUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison by ingestion.
• Hazard Codes: A poison by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C