CID 12299883

Base Information

• Chemical Name: CID 12299883
• CAS No.: 6533-68-2
• Molecular Formula: C17H28BrNO7
• Molecular Weight: 438.37
• Hs Code.: 29399990
• European Community (EC) Number: 613-776-6
• Mol file: 6533-68-2.mol

Synonyms:6533-68-2;AMY19379;(?)-Scopolamine hydrobromide trihydrate;PD055973;(1S,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 3-hydroxy-2-phenylpropanoate hydrobromide trihydrate;(9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate;trihydrate;hydrobromide

Chemical Property of CID 12299883

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 2.87E-09mmHg at 25°C
• Melting Point: 197-194 °C
• Refractive Index: -25.5 ° (C=5, H2O)
• Boiling Point: 460.3 °C at 760 mmHg
• Flash Point: 232.2 °C
• PSA: 89.99000
• Density: 1.31 g/cm³
• LogP: 1.62120
• Storage Temp.: Poison room
• Solubility.: H2O: soluble50mg/mL
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 437.10491
• Heavy Atom Count: 26
• Complexity: 418

Purity/Quality:

99% ^*data from raw suppliers

HyoscineHydrobromideTrihydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 45-25-1

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br