Brucine, hydrate

Base Information

• Chemical Name: Brucine, hydrate
• CAS No.: 4845-99-2
• Molecular Formula: C23H26N2O4.1/2H2O4S
• Molecular Weight: 443.50
• NSC Number: 463
• Mol file: 4845-99-2.mol

Synonyms:NSC463;BRUCINE, HYDRATE;FT-0623275;Strychnidin-10-one,3-dimethoxy-, sulfate (2:1)

Chemical Property of Brucine, hydrate

Chemical Property:

• Appearance/Colour: white needle crystal
• Vapor Pressure: 1.28E-25mmHg at 25°C
• Melting Point: ~185 °C (dec.)(lit.)
• Boiling Point: 633.7oC at 760 mmHg
• Flash Point: 337.1oC
• PSA: 250.07000
• Density: 1.41 g/cm3
• LogP: 4.20310
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 492.15663703
• Heavy Atom Count: 34
• Complexity: 866

Purity/Quality:

99% ^*data from raw suppliers

Brucinesulphate >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/28-52/53
• Safety Statements: 13-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.OS(=O)(=O)O