Brucine dihydrate

Base Information

• Chemical Name: Brucine dihydrate
• CAS No.: 145428-94-0
• Molecular Formula: C23H26N2O4.2H2O
• Molecular Weight: 430.50
• Hs Code.: 29399920
• European Community (EC) Number: 677-951-9
• Nikkaji Number: J3.158.341A
• Mol file: 145428-94-0.mol

Synonyms:10,11-dimethoxystrychnine;brucine;bruzin;dimethoxystrychnine

Chemical Property of Brucine dihydrate

Chemical Property:

• Appearance/Colour: white crystalline powder or crystals
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 174 °C
• Boiling Point: 633.738°C at 760 mmHg
• Flash Point: 337.073°C
• PSA: 69.70000
• LogP: 1.98400
• Storage Temp.: Poison room
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 395.19708235
• Heavy Atom Count: 29
• Complexity: 785

Purity/Quality:

98%min ^*data from raw suppliers

BRUCINE DIHYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C34CC[NH+]5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC
• Isomeric SMILES: COC1=C(C=C2C(=C1)[C@]34CC[NH+]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC