But-2-enedioic acid;1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one

Base Information

• Chemical Name: But-2-enedioic acid;1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
• CAS No.: 17360-35-9
• Molecular Formula: C12H18N2O•^3/2C4H4O4
• Molecular Weight: 380.44
• European Community (EC) Number: 241-388-3
• Mol file: 17360-35-9.mol

Synonyms:oxotremorine sesquifumarate

Chemical Property of But-2-enedioic acid;1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one

Chemical Property:

• Vapor Pressure: 8.7E-06mmHg at 25°C
• Melting Point: 102-105 °C(lit.)
• Boiling Point: 595.7°Cat760mmHg
• Flash Point: 314.1°C
• PSA: 270.90000
• Density: g/cm³
• LogP: 0.30300
• Storage Temp.: 2-8°C
• Solubility.: H2O: 50 mg/mL
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 10
• Exact Mass: 760.31670222
• Heavy Atom Count: 54
• Complexity: 412

Purity/Quality:

98%,99%, ^*data from raw suppliers

Oxotremorine sesquifumarate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 28-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCN(C1)CC#CCN2CCCC2=O.C1CCN(C1)CC#CCN2CCCC2=O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O