3-Methylene-4-azabicyclo[2.2.2]octan-2-one, chloride, hydrate

Base Information

• Chemical Name: 3-Methylene-4-azabicyclo[2.2.2]octan-2-one, chloride, hydrate
• CAS No.: 207556-03-4
• Molecular Formula: C8H11NO·HCl·xH2O
• Molecular Weight: 173.64
• European Community (EC) Number: 626-549-1
• DSSTox Substance ID: DTXSID80585224
• Mol file: 207556-03-4.mol

Synonyms:207556-03-4;3-methylene-4-azabicyclo[2.2.2]octan-2-one, chloride, hydrate;2-METHYLENE-3-QUINUCLIDINONE HYDRO-;2-methylidene-1-azabicyclo[2.2.2]octan-3-one;hydrate;hydrochloride;2-Methylenequinuclidin-3-one hydrochloride hydrate;starbld0002921;SCHEMBL4958476;DTXSID80585224;LQTODMPQFWEUFY-UHFFFAOYSA-N;AKOS024364964;2-Methylene-3-quinuclidinone hydrochloride hydrate, 96%;2-methylene-1-azabicyclo[2.2.2]octan-3-one hydrochloride hydrate;2-Methylidene-1-azabicyclo[2.2.2]octan-3-one--hydrogen chloride--water (1/1/1)

Chemical Property of 3-Methylene-4-azabicyclo[2.2.2]octan-2-one, chloride, hydrate

Chemical Property:

• Melting Point: 263 °C (dec.)(lit.)
• PSA: 63.93000
• LogP: -0.50630
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 191.0713064
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

98%Min ^*data from raw suppliers

2-Methylene-3-quinuclidinone hydrochloride hydrate 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=C1C(=O)C2CCN1CC2.O.Cl