Methyl (alphaS,1R,4S)-alpha-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene-2-acetate

Base Information

• Chemical Name: Methyl (alphaS,1R,4S)-alpha-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene-2-acetate
• CAS No.: 112018-28-7
• Molecular Formula: C₁₃H₂₁NO₂
• Molecular Weight: 223.315
• DSSTox Substance ID: DTXSID001140924

Synonyms:DTXSID001140924;Methyl (alphaS,1R,4S)-alpha-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene-2-acetate;112018-28-7

Chemical Property of Methyl (alphaS,1R,4S)-alpha-(2-methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene-2-acetate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 223.157228913
• Heavy Atom Count: 16
• Complexity: 298

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)OC)N1CC2CC1C=C2
• Isomeric SMILES: CC(C)C[C@@H](C(=O)OC)N1C[C@H]2C[C@@H]1C=C2

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