Brucine iodomethylate

Base Information

• Chemical Name: Brucine iodomethylate
• CAS No.: 60723-51-5
• Molecular Formula: C23H26N2O4•CH3I
• Molecular Weight: 536.45
• DSSTox Substance ID: DTXSID30976163

Synonyms:Brucine iodomethylate;Brucine, methiodide;Brucine iodomethyle;Brucine iodomethyle [French];60723-51-5;C23H26N2O4.CH3I;DTXSID30976163;C23-H26-N2-O4.C-H3-I;LS-45256;2,3-Dimethoxy-19-methyl-10-oxostrychnidin-19-ium iodide;Strychnidinium, 2,3-dimethoxy-19-methyl-10-oxo-, iodide

Chemical Property of Brucine iodomethylate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 536.11721
• Heavy Atom Count: 31
• Complexity: 830

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]12CCC34C1CC5C6C3N(C(=O)CC6OCC=C5C2)C7=CC(=C(C=C47)OC)OC.[I-]
• Isomeric SMILES: C[N+]12CCC34[C@@H]1C[C@@H]5[C@@H]6[C@@H]3N(C(=O)C[C@@H]6OCC=C5C2)C7=CC(=C(C=C47)OC)OC.[I-]

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